Information card for entry 2237999

Structure parameters

• Chemical name: 4-(4-Fluorobenzoyl)-3-phenyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C23 H17 F O2
• Calculated formula: C23 H17 F O2
• SMILES: c1cccc2c1C(=O)C[C@@H]([C@@H]2C(=O)c1ccc(cc1)F)c1ccccc1.c1cccc2c1C(=O)C[C@H]([C@H]2C(=O)c1ccc(cc1)F)c1ccccc1
• Title of publication: 4-(4-Fluorobenzoyl)-3-phenyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Zhang, Hao; Hu, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o678
• a: 8.0063 ± 0.0006 Å
• b: 10.6688 ± 0.0008 Å
• c: 20.3796 ± 0.0015 Å
• α: 90°
• β: 97.458 ± 0.001°
• γ: 90°
• Cell volume: 1726.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes