Information card for entry 5000161

Structure parameters

• Chemical name: Cholic acid acrylonitrile clathrate
• Formula: C27 H43 N O5
• Calculated formula: C27 H43 N O5
• Title of publication: Novel additive effect of inclusion crystals on polymorphs‒cholic acid crystals having different hydrogen-bonded networks with the same organic guest
• Authors of publication: Nakano, Kazunori; Sada, Kazuki; Miyata, Mikiji
• Journal of publication: Chemical Communications
• Year of publication: 1996
• Journal issue: 8
• Pages of publication: 989 - 990
• a: 16.882 ± 0.003 Å
• b: 17.619 ± 0.002 Å
• c: 8.497 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2527.38 ų
• Ambient diffraction temperature: 228 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 8.8
• Weighted residual factors for significantly intense reflections: 8.8
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No