Information card for entry 2204443

Structure parameters

• Common name: 4'-methoxy-4-methoxycarbonyl-2,6-dinitrostilbene
• Chemical name: methyl 4-(4-methoxybenzylidenemethyl)-3,5-dinitrobenzoate
• Formula: C17 H14 N2 O7
• Calculated formula: C17 H14 N2 O7
• SMILES: O=N(=O)c1c(c(N(=O)=O)cc(c1)C(=O)OC)/C=C/c1ccc(OC)cc1
• Title of publication: Methyl 4-(4-methoxybenzylidenemethyl)-3,5-dinitrobenzoate
• Authors of publication: P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Saravanan; P. C. Srinivasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2053 - o2055
• a: 12.0496 ± 0.0008 Å
• b: 7.0295 ± 0.0005 Å
• c: 19.8296 ± 0.0013 Å
• α: 90°
• β: 100.856 ± 0.001°
• γ: 90°
• Cell volume: 1649.56 ± 0.19 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: 0.0626
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes