Information card for entry 2219136

Structure parameters

• Chemical name: (<i>R</i>)-(+)-3-Hydroxy-2-methoxycarbonyl-8-methyl-8- azoniabicyclo[3.2.1]octane L-bitartrate
• Formula: C14 H21 N O9
• Calculated formula: C14 H21 N O9
• SMILES: OC1=C([C@@H]2[NH+]([C@H](C1)CC2)C)C(=O)OC.O=C(O)[C@H](O)[C@@H](O)C(=O)[O-]
• Title of publication: (<i>R</i>)-(+)-3-Hydroxy-2-methoxycarbonyl-8-methyl-8-azoniabicyclo[3.2.1]octane <small>L</small>-bitartrate
• Authors of publication: Yu, Jian-Bing; Chen, Shuang-Wei; Zheng, Guo-Rong; Dai, Li-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1653
• a: 6.503 ± 0.001 Å
• b: 15.914 ± 0.003 Å
• c: 7.6626 ± 0.0012 Å
• α: 90°
• β: 96.497 ± 0.003°
• γ: 90°
• Cell volume: 787.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes