Information card for entry 4519269

Structure parameters

• Formula: C30 H53 N O3
• Calculated formula: C30.006 H53.014 N1.001 O3
• Title of publication: Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid
• Authors of publication: Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2021
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 643 - 652
• a: 11.1747 ± 0.0004 Å
• b: 7.5361 ± 0.0003 Å
• c: 17.8459 ± 0.0007 Å
• α: 90°
• β: 106.761 ± 0.002°
• γ: 90°
• Cell volume: 1439.02 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes