Information card for entry 2239809

Structure parameters

• Chemical name: 4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile
• Formula: C19 H19 F N2 O
• Calculated formula: C19 H19 F N2 O
• Title of publication: 4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile
• Authors of publication: Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o872
• a: 9.5219 ± 0.0003 Å
• b: 13.8808 ± 0.0004 Å
• c: 12.114 ± 0.0003 Å
• α: 90°
• β: 97.829 ± 0.001°
• γ: 90°
• Cell volume: 1586.2 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes