Information card for entry 2013445

Structure parameters

• Common name: (1R,3S)-1-monoamidocamphoric acid
• Chemical name: (1S,3R)-3-Carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylic acid
• Formula: C10 H17 N O3
• Calculated formula: C10 H17 N O3
• SMILES: [C@]1(C([C@H](CC1)C(=O)O)(C)C)(C(=O)N)C
• Title of publication: (1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid
• Authors of publication: Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o479 - o480
• a: 10.4 ± 0.002 Å
• b: 12.81 ± 0.003 Å
• c: 16 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2131.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes