Information card for entry 4505304

Structure parameters

• Formula: C86 H116 O14
• Calculated formula: C86 H116 O14
• Title of publication: Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths
• Authors of publication: Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 263
• a: 12.3553 ± 0.0008 Å
• b: 15.0734 ± 0.0009 Å
• c: 10.2995 ± 0.0008 Å
• α: 98.553 ± 0.002°
• β: 99.218 ± 0.003°
• γ: 88.287 ± 0.003°
• Cell volume: 1872.3 ± 0.2 ų
• Cell temperature: 198.2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 2.246
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No