Information card for entry 2012494

Structure parameters

• Common name: 1R,3S-camphoramic acid
• Chemical name: 3-aminocarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
• Formula: C10 H17 N O3
• Calculated formula: C10 H17 N O3
• SMILES: O=C(O)[C@]1(C([C@H](CC1)C(=O)N)(C)C)C
• Title of publication: (1<i>R</i>,3<i>S</i>)-Camphoramic acid
• Authors of publication: Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o106 - o107
• a: 7.2389 ± 0.0014 Å
• b: 11.2125 ± 0.0014 Å
• c: 12.7427 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1034.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes