Information card for entry 2224585

Structure parameters

• Chemical name: 1-Benzyloxy-4-chlorobenzene
• Formula: C13 H11 Cl O
• Calculated formula: C13 H11 Cl O
• SMILES: Clc1ccc(OCc2ccccc2)cc1
• Title of publication: 1-Benzyloxy-4-chlorobenzene
• Authors of publication: Wang, Guo-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o50
• a: 11.485 ± 0.002 Å
• b: 13.033 ± 0.003 Å
• c: 7.3333 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes