Information card for entry 2208710

Structure parameters

• Chemical name: tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• Formula: C12 H21 N O3
• Calculated formula: C12 H21 N O3
• SMILES: OC1C[C@H]2N([C@@H](C1)CC2)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 3-<i>endo</i>-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• Authors of publication: Chen, Shuang-Wei; Xu, Cai-Hong; Zheng, Guo-Rong; Jin, Xu-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1233 - o1234
• a: 11.142 ± 0.0014 Å
• b: 10.4997 ± 0.0012 Å
• c: 10.7201 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1254.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No