Information card for entry 2101547

Structure parameters

• Formula: C28 H51 N O5
• Calculated formula: C28 H51 N O5
• Title of publication: Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol
• Authors of publication: Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 728 - 733
• a: 13.286 ± 0.001 Å
• b: 7.853 ± 0.001 Å
• c: 14.075 ± 0.001 Å
• α: 90°
• β: 105.12 ± 0.01°
• γ: 90°
• Cell volume: 1417.7 ± 0.2 ų
• Cell temperature: 298 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: 0.068
• Weighted residual factors for significantly intense reflections: 0.082
• Goodness-of-fit parameter for significantly intense reflections: 2.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No