Information card for entry 7200830

Structure parameters

• Formula: C28 H47 N O4
• Calculated formula: C28 H47 N O4
• SMILES: O(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCCCCCCCC
• Title of publication: Pharmaceutical organogels prepared from aromatic amino acid derivatives
• Authors of publication: Bastiat, Guillaume; Leroux, Jean-Christophe
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 23
• Pages of publication: 3867
• a: 7.7987 ± 0.0003 Å
• b: 4.9374 ± 0.0002 Å
• c: 34.757 ± 0.0014 Å
• α: 90°
• β: 93.642 ± 0.002°
• γ: 90°
• Cell volume: 1335.63 ± 0.09 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: 0.0395
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No