Information card for entry 2215214

Structure parameters

• Chemical name: rac-(<i>Z</i>)-2-(1-Naphthylmethylene)-1-azabicyclo[2.2.2]octan-3-ol
• Formula: C18 H19 N O
• Calculated formula: C18 H19 N O
• SMILES: OC1C2CCN(/C1=C\c1cccc3c1cccc3)CC2
• Title of publication: <i>rac</i>-(<i>Z</i>)-2-(1-Naphthylmethylene)-1-azabicyclo[2.2.2]octan-3-ol
• Authors of publication: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3915 - o3915
• a: 6.1892 ± 0.0001 Å
• b: 8.8706 ± 0.0002 Å
• c: 25.1693 ± 0.0005 Å
• α: 90°
• β: 96.0631 ± 0.0008°
• γ: 90°
• Cell volume: 1374.11 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes