Information card for entry 2207694

Structure parameters

• Chemical name: 10-(3-Methoxybenzylidene)anthrone
• Formula: C22 H16 O2
• Calculated formula: C22 H16 O2
• SMILES: O=C1c2ccccc2C(=Cc2cc(OC)ccc2)c2ccccc12
• Title of publication: 10-(3-Methoxybenzylidene)anthrone
• Authors of publication: Wei Zhou; Xue-Feng Liu; Wei-Xiao Hu; Chun-Nian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4263 - o4265
• a: 7.165 ± 0.002 Å
• b: 16.345 ± 0.002 Å
• c: 13.963 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes