• Korean Journal of Crystallography
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• v.11 no.1
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• pp.22-27
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• 2000

The structure of cis-(malonato)[(4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane]platinum(II) with a potent anticancer activity has been determined by the X-ray crystallographic method. Crystal data are as follows: Pt(C/sub 11/H/sub 20/N₂O/sub 6/), M/sub 4/=471.38, monoclinic, P2₁, a=7.112(1), b=33.615(3), c=7.135(1)Å, β=116.80(1)°, V=1522.6(3)Å, and Z=4. The two independent molecules with very similar structures are approximately related by pseudo two-fold screw axis symmetry, which makes the monolinic cell look like the orthorhombic cell with one molecule in the asymmetric unit and space group C222₁. The crystal packing mode is similar to that of the analogue with the dimethyl substituents instead of the isopropyl group. The Pt atom is coordinate to two O and two N atoms in a square planar structure. The six-membered chelate ring in the leaving ligand assumes a conformation intermediate between the half chair and the boat forms. The seven-membered ring in the carrier ligand assumes a twist-chair conformation and the oxolane ring assumes an envelope conformation. Crystal packing consists of the extensive hydrogen-bonding network in the two-dimensional molecular layers and weak van der Waals interactions between these layers.

• Journal of the Korean Chemical Society
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• v.28 no.4
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• pp.205-209
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• 1984

The crystal and molecular structure of thiosinamine, $H_2NCSNHCH_2CHCH_2$, has been determined by X-ray diffraction method. The crystals are monoclinic, space group $P2_1/a$ with four molecules in a unit cell of dimensions, a = 9.819(3), b = 8.553(3), c = 9.170(2)${\AA}$, ${\beta}$ = 127.3(1)$^{\circ}$, and z = 4. Intensity data for 814 reflections were collected with a Rigaku-Denki automatic four circle diffractometer. The structure was solved by direct and Fourier methods. Refinements were carried out by full matrix least-squares method to a final R value of 0.046. The thiourea unit is planar, and the bond lengths and angles in that unit agree well with those in the compounds which contain a thiourea moiety. The molecules are linked together by the two patterns of N-H${\cdots}$S hydrogen bonds along the b-axis.

• Journal of the Korean Chemical Society
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• v.25 no.3
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• pp.131-139
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• 1981

Cholesteryl hexanoate $(C_{33}H_{56}O_2)$, is monoclinic, space group $P2_1$, with a = 12.162(3), b = 9.314(3), c = 13.643(5) ${\AA}$, ${\beta}$ = $93. 55{\circ}(3)$ and two molecules per unit cell. The atomic coordinates from cholesteryl octanoate were used in an initial trial structure using X-ray intensities(Mo $K{\alpha}$ radiation) measured by a diffractometer at room temperature and $-75{\circ}C$. Structure refinement by block-diagonal least squares gave R = 0.129 and 0.105 for room and low temperature experiments respectively. The molecules are arranged in monolayers with their long axes antiparallel and severely tilted. There is a close packing of cholesteryl groups within the monolayers. The crystal structures is very similar to those of cholesteryl octanoate and cholesteryl oleate.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.103-110
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• 1995

The crystal structure of 1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-4-en-7-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (HCI salt) has been determined from single crystal x-ray diffraction study ; C20H21N3O4FCl, Monoclinic, C2/c, a=28.349(2)Å, b=11.941(2)Å, c=12.806(2)Å, β=96.428(9)°, V=4307.8Å3, T=296(2)K, Z=8, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=4.96% for 2258 unique observed F0>4σ(F0) reflections and 293 parameters. The conformation of the molecule is stabilized by an intramolecular O(28)-H(28)…O(25) [2.517(4)Å, 156.7(447)°] hydrogen bond. Intermoleculars distances correspond to van der Waals contacts.

• Korean Journal of Crystallography
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• v.6 no.1
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• pp.43-48
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• 1995

The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

• Korean Journal of Crystallography
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• v.7 no.2
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• pp.105-112
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• 1996

The structure of the tetra-tert-butyl-dipropionyloxy-dihydroxycalis[4]arene (C50H64O6) has been determined by X-ray diffraction methods. The crystal is monoclinic, space group C2/c, unit cell constant a=16.067(2), b=26.391(17), c=10.335(1)Å, β=94.26(1)°, Z=4, V=4370.2(29)Å3, Dc=1.16, Dm=1.2 gcm-3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Cu-Kα radiation (λ=1.5418Å). The structure was solved by direct methods and refined by least-squares methods. The final R value was 0.07 for 2354 observed reflections. The molecule has the 1, 3-alternate conformation with own two-fold symmetry axis, : two propionyloxy phenyl groups are up and the other two hydroxy phenyl groups are down.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.29-36
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• 1990

Cholesteryl pentyl carbonate $(C_{33}H_{56}O_3)$ is monoclinic, space group P21, with a = 12.484(3), b = 9.043(3), c = 14.053(3)$\AA$, ${\beta} = 94.12(2)^{\circ}$ and z = 2. The intensity data were measured for the 2969 reflections within sin $\theta/\lambda = 0.52 {\AA}^{-1}$, using an automatic four--circle diffractometer and graphite monochromated Mo-K$\alpha$ radiation. The atomic coordinates from cholesteryl octanoate were used in an initial trial structure and the structure was refined by full-matrix least squares methods. The final R-factor was 0.12 for 1164 observed reflections. The pentyl group has shortened bond lengths due to the high thermal vibrations in this region. Adjacent molecules are related by $2_1$ screw axis so that they are arranged in an antiparallel array, corresponding to the Monolayer Type II packing mode. There are close packings of cholesteryl groups within the monolayers. This packing type is similar to those of cholesteryl hexanoate, octanoate, hexyl carbonate and oleate.

• Bulletin of the Korean Chemical Society
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• v.15 no.10
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• pp.891-896
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• 1994

Reactions of mer, trans-$Re({\equiv}NC_6H_5)(PPh_3)_2Cl_3$, I, with $PMe_3$ and $P(OMe)_34 at room temperature, led to mer, trans-$Re({\equiv}NC_6H_5)(PPh_3)(PMe_3)Cl_3$, II, and fac-$Re({\equiv}NC_6H_5)(PPh_3)(P(OMe)_3)Cl_34, III, respectively. The crystal structures of II and III were determined through X-ray diffraction. Ⅱ crystallizes in the orthorhombic system, space group $Pna2_1$ with cell parameters a=19.379(4) ${\AA}$, b=11.867(2) ${\AA}$, c = 12.676(3) ${\AA}$, and Z = 4. Least-squares refinement of the structure led to a $R(wR_2)$ factor of 0.0251 (0.0621) for 2203 unique reflections of $I>2{\sigma}(I)$ and for 306 variables. III crystallizes in the monoclinic system, space group $P2_1/n$ with cell parameters a=11.399(3) ${\AA}$, b=14.718(4) ${\AA}$, c=17.558(5) ${\AA}$, ${\beta}=97.79(2){\circ}$, and Z=4. Least-squares refinement of the structure led to a $R(wR_2)$ factor of 0.0571 (0.1384) for 3739 unique reflections of $I>2{\sigma}(I)$ and for 344 variables. Structural studies showed that the relative orientations of the two phosphines in both complexes are different, probably due to the differences in the coordinating abilities between $PMe_3$ and $P(OMe)_3$ to the 5-coordinate fluxional intermediate.

• Korean Journal of Materials Research
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• v.7 no.1
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• pp.57-61
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• 1997

Formation of fluorite structure and other related crystal structures in the $Y_{0.8}Ta_{0.2}O_{1.7}$-MO(M=Ba, Sr, Ca and Mg) system has been studied $Ba_2YTaO_6,\;Sr_2YTaO_6$ of cubic perovskite type ordered structure anti $Y_2O_3$ of cubic structure were produced besides the defect fluorite structure when 4 moIob of BaO or SrO was added to $Y_{0.8}Ta_{0.2}O_{1.7}$ When CaO more than 8 nlol"/o was added to $Y_{0.8}Ta_{0.2}O_{1.7}$, monoclinic: $Ca_2YTaO$, and cubic $Y_2O_3$ were pri~tlucecl ;IS this sec:onci phases hesides the main fluorite truc,ture. Smglc phase of fluorite structure \vas 1)roduc:ciI when MgO was added up to 12 mol%, however, MgO appeared as the second phase besides the main fluorire structure when MgO was added more than lti moI0'. Consquently, it is considered rh;it the formation of tluorite structure is related with the formation of the cubic perovskite type ordered structure of $A_2(B'B")O_6$ as well as the cation radii of the additives.additives.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.359-359
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• 2012

Trivalent rare-earth ($RE^{3+}=Eu^{3+}\;and\;Tb^{3+}$) ions activated $CaGd_4O_7$ phosphors were synthesized by a sol-gel process. After annealing at $1,500^{\circ}C$, the XRD patterns of the phosphor confirmed their monoclinic structure. The photoluminescence excitation spectra of $Eu^{3+}$ and $Tb^{3+}$ doped $CaGd_4O_7$ phosphor shows the broad-band excitations in the shorter wavelength region due to charge transfer band of completely filled $O^{2-}$ to the partially filled $Eu^{3+}$ ions and f-d transitions of $Tb^{3+}$ ions, respectively. The photoluminescence spectra show that the reddish-orange ions and green emission for $Eu^{3+}$ and $Tb^{3+}$ ions, respectively. Owing to the importance of thermal quenching property in the technological parameters, the temperature-dependent luminescence properties of these phosphors were measured for examing the suitability of their applications in the development of light emitting diodes (LEDs). In addition to those measurements, the cathodoluminescence properties were examined by changing the acceleration voltage and filament current. The calculated chromaticity coordinates of these phosphors were close proximity to those of commercially available phosphors for LED and field emission display devices.