Information card for entry 2211779

Structure parameters

• Chemical name: 10-(4-Hydroxy-3-nitrobenzylidene)anthrone
• Formula: C21 H13 N O4
• Calculated formula: C21 H13 N O4
• SMILES: O=C1c2ccccc2C(=Cc2ccc(O)c(N(=O)=O)c2)c2ccccc12
• Title of publication: 10-(4-Hydroxy-3-nitrobenzylidene)anthrone
• Authors of publication: Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o51 - o53
• a: 8.545 ± 0.004 Å
• b: 14.588 ± 0.003 Å
• c: 13.916 ± 0.004 Å
• α: 90°
• β: 116.22 ± 0.02°
• γ: 90°
• Cell volume: 1556.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes