Information card for entry 2203452

Structure parameters

• Chemical name: 1,4-Bis(benzyloxy)benzene
• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: c1ccc(cc1)COc1ccc(cc1)OCc1ccccc1
• Title of publication: 1,4-Bis(benzyloxy)benzene
• Authors of publication: Donghong He; Shihai Xu; Zhaoxun Lian; Xiangchao Zeng; Shuhao Guo; Xiaojian Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o711 - o712
• a: 17.565 ± 0.005 Å
• b: 5.682 ± 0.0017 Å
• c: 7.804 ± 0.002 Å
• α: 90°
• β: 97.622 ± 0.006°
• γ: 90°
• Cell volume: 772 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes