Information card for entry 2227993

Structure parameters

• Chemical name: 1-Benzyloxy-4-(2-nitroethenyl)benzene
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: O(c1ccc(cc1)/C=C/N(=O)=O)Cc1ccccc1
• Title of publication: 1-Benzyloxy-4-(2-nitroethenyl)benzene
• Authors of publication: Kennedy, Alan R.; Kipkorir, Zaccheus R.; Muhanji, Claire I.; Okoth, Maurice O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2984 - o2985
• a: 9.9522 ± 0.0008 Å
• b: 14.0456 ± 0.0013 Å
• c: 14.2506 ± 0.001 Å
• α: 74.416 ± 0.005°
• β: 84.188 ± 0.005°
• γ: 80.888 ± 0.004°
• Cell volume: 1891 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes