Information card for entry 2215598

Structure parameters

• Common name: 1-benzyloxy-4-nitrobenzene
• Chemical name: 1-benzyloxy-4-nitrobenzene
• Formula: C13 H11 N O3
• Calculated formula: C13 H11 N O3
• SMILES: O=N(=O)c1ccc(OCc2ccccc2)cc1
• Title of publication: 1-Benzyloxy-4-nitrobenzene
• Authors of publication: Andivelu Ilangovan; Rajendran Ganesh Kumar; Hongze Liang; Kasthuri Balasubramani; Packianathan Thomas Muthiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4087 - o4087
• a: 14.0913 ± 0.0018 Å
• b: 10.764 ± 0.0014 Å
• c: 7.6056 ± 0.001 Å
• α: 90°
• β: 100.349 ± 0.002°
• γ: 90°
• Cell volume: 1134.8 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0602
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes