Information card for entry 7203346

Structure parameters

• Formula: C32 H49 Cl O5
• Calculated formula: C24 H40 O5
• Title of publication: Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid
• Authors of publication: Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 461
• a: 12.078 ± 0.001 Å
• b: 8.0989 ± 0.0009 Å
• c: 16.226 ± 0.002 Å
• α: 90°
• β: 111.031 ± 0.006°
• γ: 90°
• Cell volume: 1481.5 ± 0.3 ų
• Cell temperature: 203.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.4387
• Goodness-of-fit parameter for all reflections included in the refinement: 3.447
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No