Information card for entry 2205197

Structure parameters

• Chemical name: 10-(4-Fluorobenzylidene)anthrone
• Formula: C21 H13 F O
• Calculated formula: C21 H13 F O
• SMILES: Fc1ccc(C=C2c3ccccc3C(=O)c3ccccc23)cc1
• Title of publication: 10-(4-Fluorobenzylidene)anthrone
• Authors of publication: Wei Zhou; Weixiao Hu; Luping Lv; Chunnian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o592 - o593
• a: 10.044 ± 0.006 Å
• b: 11.398 ± 0.003 Å
• c: 13.82 ± 0.003 Å
• α: 90°
• β: 109.79 ± 0.04°
• γ: 90°
• Cell volume: 1488.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes