Information card for entry 1515932

Structure parameters

• Formula: C30 H51 N O4 S
• Calculated formula: C30 H51 N O4 S
• Title of publication: Bile acid‒amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition
• Authors of publication: Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina
• Journal of publication: Soft Matter
• Year of publication: 2010
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 3789
• a: 10.1039 ± 0.0003 Å
• b: 7.5996 ± 0.0002 Å
• c: 19.6507 ± 0.0005 Å
• α: 90°
• β: 101.655 ± 0.0019°
• γ: 90°
• Cell volume: 1477.78 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor R(I) for significantly intense reflections: 3.9524
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No