Information card for entry 2212198

Structure parameters

• Chemical name: 2-benzyl-4-chloro-1-(4-nitrobenzyloxy)benzene
• Formula: C20 H16 Cl N O3
• Calculated formula: C20 H16 Cl N O3
• SMILES: Clc1cc(Cc2ccccc2)c(OCc2ccc(N(=O)=O)cc2)cc1
• Title of publication: 2-Benzyl-4-chloro-1-(4-nitrobenzyloxy)benzene
• Authors of publication: Song-Qing Wang; Jian Cao; Xiu-Jie Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o683 - o684
• a: 7.329 ± 0.002 Å
• b: 19.023 ± 0.005 Å
• c: 12.723 ± 0.003 Å
• α: 90°
• β: 101.845 ± 0.005°
• γ: 90°
• Cell volume: 1736.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes