Information card for entry 2215873

Structure parameters

• Chemical name: 10-(4-Hydroxy-3-methoxy-5-nitrobenzylidene)anthrone
• Formula: C22 H15 N O5
• Calculated formula: C22 H15 N O5
• SMILES: O=C1c2ccccc2C(=Cc2cc(N(=O)=O)c(O)c(OC)c2)c2ccccc12
• Title of publication: 10-(4-Hydroxy-3-methoxy-5-nitrobenzylidene)anthrone
• Authors of publication: Wei Zhou; Zhimin Wu; Weixiao Hu; Chunnian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4498 - o4498
• a: 7.542 ± 0.003 Å
• b: 27.81 ± 0.01 Å
• c: 8.111 ± 0.003 Å
• α: 90°
• β: 97.257 ± 0.005°
• γ: 90°
• Cell volume: 1687.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes