Information card for entry 2211480

Structure parameters

• Chemical name: 2-(4-Chlorobenzyloxy)benzaldehyde
• Formula: C14 H11 Cl O2
• Calculated formula: C14 H11 Cl O2
• SMILES: Clc1ccc(COc2ccccc2C=O)cc1
• Title of publication: 2-(4-Chlorobenzyloxy)benzaldehyde
• Authors of publication: Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5891 - o5892
• a: 4.0635 ± 0.0011 Å
• b: 14.894 ± 0.004 Å
• c: 19.715 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1193.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes