Information card for entry 4029775

Structure parameters

• Formula: C24 H31 N O4
• Calculated formula: C24 H31 N O4
• SMILES: [NH2+](Cc1ccccc1)Cc1ccccc1.C(=O)([O-])[C@H]1C([C@](CC1)(C(=O)O)C)(C)C
• Title of publication: Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.
• Authors of publication: Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2010
• Journal volume: 6
• Pages of publication: 848 - 858
• a: 6.6454 ± 0.0003 Å
• b: 17.9624 ± 0.0009 Å
• c: 9.3062 ± 0.0004 Å
• α: 90°
• β: 98.981 ± 0.004°
• γ: 90°
• Cell volume: 1097.24 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0845
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No