Information card for entry 2203917

Structure parameters

• Chemical name: 10-(2-methylbenzylidene)anthrone
• Formula: C22 H16 O
• Calculated formula: C22 H16 O
• SMILES: O=C1c2c(cccc2)C(c2c1cccc2)=Cc1ccccc1C
• Title of publication: 10-(2-Methylbenzylidene)anthrone
• Authors of publication: Guo-Wu Rao; Wei-Xiao Hu; Wei Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1234 - o1235
• a: 7.0137 ± 0.0002 Å
• b: 10.3135 ± 0.0004 Å
• c: 11.5107 ± 0.0005 Å
• α: 107.02 ± 0.005°
• β: 91.224 ± 0.004°
• γ: 100.854 ± 0.008°
• Cell volume: 779.33 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes