Information card for entry 8102337

Structure parameters

• Chemical name: (Z)-3-methoxy-4'-nitrostilbene
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: c1(N(=O)=O)ccc(cc1)/C=C/c1cc(OC)ccc1
• Title of publication: Crystal structure of (E)-3-methoxy-4'-nitrostilbene, C15H13NO3
• Authors of publication: Chenzhong Cao; Liqiu Liu; Zhiqing Yin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 439
• a: 8.0355 ± 0.0011 Å
• b: 22.644 ± 0.003 Å
• c: 7.0938 ± 0.0009 Å
• α: 90°
• β: 100.221 ± 0.008°
• γ: 90°
• Cell volume: 1270.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No