• Archives of Pharmacal Research
• /
• v.14 no.2
• /
• pp.137-142
• /
• 1991

The structure of a $\beta$-allyl type phenylpropanoid was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of n-hexane and benzene in monoclinic crystal system with a = 24.782 (2), b = 10.537 (1), c = 7.871 (1) ${\AA}, \beta=95.74$ (1)$^\circ, $D_x$=1.216, $D_m$=1.22g/$cm^3$, space group $P2_1/a$, and Z=4. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.054 for 2824 observed reflections {$F{\geq}3\sigma(F)$}. The molecular geometry shows a most stable trans-form with respect to the bulky phenyls, and this conformation is settled by an intramolecular hydrogen bond. In the crystal, the molecules are arranged along with the screw axis, and stabilized by the $O{\cdot}H{\cdots}O$ type intermolecular hydrogen bonds. The other intermolecular contacts appear to be the normal van der Waals' interactions. The compound is a dimeric phenylpropanoid, and belongs to the neolignan analogues.

• Archives of Pharmacal Research
• /
• v.15 no.1
• /
• pp.52-57
• /
• 1992

The molecular structure of a natural compound was determined by single crystal X-ray diffraction analysis. The compound was isolated by methanol extraction and repeated chromatography from the stem of Paulownia tomentosa. Yellow prismatic crystals of the compound, which were recrystallized from tetrahydrofuran, are triclinic, with a = 7.310 (6), b = 10.753(6), c = 11.586(5) ${\AA}.\;\alpha= 93.30(6),\;\beta=105.62(10),\;\gamma=109.49(7)^\circ,\;D_x=1.514,\;D_m=1.51 g/cm^3$, space group P1 and Z = 2. The structure was solved by direct method, and refined by least-squares procedure to the final R-value of 0.032 for 1271 independent reflections $(F\le3\sigma{(F))}$. The compound is one of new furanquinone analogue. The molecule has a nearly planar conformation with an intramolecular hydrogen bond. In the crystal, the planar molecules are arranged as a prallel sheet-like pattern, and these stackings are stabilized by the O-H...O type intermolecular hydrogen bonds. The other intermolecular contacts appear to be the normal van der Waals interactions.

• Archives of Pharmacal Research
• /
• v.25 no.3
• /
• pp.275-279
• /
• 2002

The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 1998.06a
• /
• pp.347-350
• /
• 1998

We studied relation of X-ray diffraction and charge/discharge capacity of LiMn$_2$O$_4$ cathode. LiMn$_2$O$_4$ is prepared by reacting stoichiometric mixture of LiOH.$H_2O$ and MnO$_2$ (mole ratio 1 : 2) and heating at $700^{\circ}C$, 80$0^{\circ}C$ for 24hr, 36hr, 48hr, 60hr and 72hr. Through X-ray diffraction pattern, it is analyzed that crystal structure and lattice parameter and peak ratio so on. We obtained X-ray diffraction pattern that varied lattice parameter and peak intensity by function of calcining temperature and time. Cathode active materials calcined at 80$0^{\circ}C$ for 36hr shown that (111)/(311) Peak ratio at X-ray diffraction pattern was 0.37. It means that crystal structure is formed very well in this temperature and time. In the result of charge/discharge test, cathode active material calcined at 80$0^{\circ}C$ for 36hr displayed excellent charge/discharge properties than that of cathode active materials calcined at other temperature and title. In this study, we certified that spinel structure basied cubic is formed very well at 80$0^{\circ}C$ for 36hr. In this case, (111)/(311) peak ratio at X-ray diffraction is 0.37, and charge/discharge properties is excellent than others.

• Journal of the Korean Wood Science and Technology
• /
• v.21 no.1
• /
• pp.15-20
• /
• 1993

X-ray diffractograms of the vessel elements and the wood fibers of Quercus variabilis BLUME were recorded and resolved into characteristic reflections of cellulose I. Some differences were observed in the ratio of integrated intensity and crystallinity index between vessel elements and wood fibers. Present results suggest that cellulose crystal structure in the hardwood species was varied with the elements of wood.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2007.06a
• /
• pp.97-98
• /
• 2007

A stoichiometric. mixture of evaporating materials for $CuGaSe_2$ single crystal thin films was prepared from horizontal electric furnace. Using extrapolation method of X-ray diffraction patterns for the polycrystal $CuGaSe_2$, it was found tetragonal structure whose lattice constant $a_0$ and $c_0$ were $5.615\;{\AA}$ and $11.025\;{\AA}$, respectively. To obtain the single crystal thin films, $CuGaSe_2$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the hot wall epitaxy (HWE) system. The source and substrate temperatures were $610^{\circ}C$ and $450^{\circ}C$, respectively. The crystalline structure of the single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CuGaSe_2$ single crystal thin films measured with Hall effect by van der Pauw method are $4.87{\times}10^{17}\;cm^{-3}$ and $129\;cm^2/V{\cdot}s$ at 293 K, respectively. The temperature dependence of the energy band gap of the $CuGaSe_2$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g(T)\;=\;1.7998\;eV\;-\;(8.7489\;{\times}\;10^{-4}\;eV/K)T^2/(T\;+\;335\;K)$.

• Journal of the Korean Chemical Society
• /
• v.42 no.3
• /
• pp.345-349
• /
• 1998

• Bulletin of the Korean Chemical Society
• /
• v.32 no.5
• /
• pp.1745-1747
• /
• 2011

• Bulletin of the Korean Chemical Society
• /
• v.25 no.6
• /
• pp.921-923
• /
• 2004

• Bulletin of the Korean Chemical Society
• /
• v.31 no.4
• /
• pp.1058-1060
• /
• 2010