Information card for entry 2237251

Structure parameters

• Chemical name: 1-Methoxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one
• Formula: C18 H12 O2
• Calculated formula: C18 H12 O2
• SMILES: O=C1c2c(c3c1cc1ccccc1c3)cccc2OC
• Title of publication: 1-Methoxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one
• Authors of publication: Fang, Sin-Kai; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o79
• a: 7.7202 ± 0.0003 Å
• b: 9.2462 ± 0.0004 Å
• c: 18.0294 ± 0.0008 Å
• α: 90°
• β: 99.935 ± 0.002°
• γ: 90°
• Cell volume: 1267.68 ± 0.09 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes