Information card for entry 4519433

Structure parameters

• Formula: C27 H49 N O3
• Calculated formula: C27 H49 N O3
• Title of publication: Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids
• Authors of publication: Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2022
• Journal volume: 22
• Pages of publication: 3505 - 3517
• a: 12.9687 ± 0.0014 Å
• b: 6.8993 ± 0.0007 Å
• c: 14.8695 ± 0.0015 Å
• α: 90°
• β: 106.707 ± 0.006°
• γ: 90°
• Cell volume: 1274.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1342
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes