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김회진;노광현
- Korean Journal of Crystallography
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- v.4 no.1
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- pp.25-35
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- 1993
Tetra-tert-butyl-tetrapropionycalix (4) arena (C56H7208) is Triclinic, space group Pl, with a=13.664(5), b=17.585(5), c=12.863(2)A, a=109.33(2), B=111.97(2), γ=76.45(3) ˚, Z=2, V=2684.08A3, D, =1.152g/cm3, Dm=1.15g/cm3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Mo-Ka radiation. The structure was solved by direct methods and refined by leastsquares methods. The final R factor was 0.084 for 2561 observed reflections. The configuration of the molecule from the X-ray crystallographic investigation has the partial cone conformation, three tort-butylphenyls are down and a tort-butylphenyl is up. Three propionyloxy groups direct toward the exterior of the macrocycle cavity.
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Lee, Bo-Hyeong;Jo, Seon-Hui;Park, Yeong-Ja
- Korean Journal of Crystallography
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- v.8 no.2
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- pp.111-118
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- 1997
The structrue of hydroxy-bisbenzoyloxy-allyloxycalix[4]arene (C45H36O6) has been determined by X-ray crystallography. The crystals are monoclinic, space group P21, unit cell constants a=11.045(3), b=33.545(2) c=10.319(4)Å, β=113.86(2)˚, Z=4, V=3496.0(1.8) Å3, DC=1.28 gcm-3. The intensity data were collected on an Enraf-Noninus CAD-4 Diffractometer with a graphite monochromated Mo-Kα radiation. The structure was solved by direct method and refined by full-matrix least-squares calculations to a final R value of 0.076 for 2945 observed reflections. Two independent enantiomeric molecules are crystallized in a 1:1 racemate mixture. They have the flattened cone conformation with the flattening hydroxy1 pheny1 rings. There is an intramolecular hydrogen bond in both molecules.
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