Information card for entry 2238695

Structure parameters

• Common name: (<i>R</i>)-(-)-1-Azabicyclo[2.2.2]octan-3-ol
• Chemical name: (<i>R</i>)-(-)-Quinuclidin-3-ol
• Formula: C7 H13 N O
• Calculated formula: C7 H13 N O
• SMILES: O[C@H]1CN2CCC1CC2
• Title of publication: (<i>R</i>)-({-})-Quinuclidin-3-ol
• Authors of publication: Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1672
• a: 6.2076 ± 0.0003 Å
• b: 6.2076 ± 0.0003 Å
• c: 29.8731 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 996.92 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No