Information card for entry 2207037

Structure parameters

• Chemical name: 10-(3,4-Dimethoxybenzylidene)anthrone
• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• SMILES: O=C1c2ccccc2C(=Cc2cc(OC)c(OC)cc2)c2ccccc12
• Title of publication: 10-(3,4-Dimethoxybenzylidene)anthrone
• Authors of publication: Wei Zhou; Weixiao Hu; Chunnian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3433 - o3434
• a: 11.709 ± 0.003 Å
• b: 10.306 ± 0.002 Å
• c: 14.847 ± 0.006 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 1743.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes