Information card for entry 2222054

Structure parameters

• Chemical name: 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3- carbonitrile
• Formula: C20 H13 F N2 O
• Calculated formula: C20 H13 F N2 O
• Title of publication: 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile
• Authors of publication: Zhang, Jinpeng; Ding, Jie; Yan, Shu; Rong, Liangce; Xu, Lichun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1354
• a: 8.116 ± 0.01 Å
• b: 9.278 ± 0.012 Å
• c: 11.263 ± 0.014 Å
• α: 98.674 ± 0.019°
• β: 105.095 ± 0.017°
• γ: 104.846 ± 0.018°
• Cell volume: 769.7 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes