Information card for entry 2206971

Structure parameters

• Chemical name: 10-(3-Acetamidobenzylidene)anthrone
• Formula: C23 H17 N O2
• Calculated formula: C23 H17 N O2
• SMILES: O=C1c2ccccc2C(=Cc2cc(NC(=O)C)ccc2)c2ccccc12
• Title of publication: 10-(3-Acetamidobenzylidene)anthrone
• Authors of publication: Zhou, Wei; Hu, Wei-Xiao; Xia, Chun-Nian; Chen, Min-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3170 - o3171
• a: 12.3847 ± 0.0003 Å
• b: 7.4853 ± 0.0004 Å
• c: 12.3351 ± 0.0003 Å
• α: 90°
• β: 128.764 ± 0.004°
• γ: 90°
• Cell volume: 891.63 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes