Information card for entry 2217595

Structure parameters

• Chemical name: Benzoylmethyl 4-chlorobenzoate
• Formula: C15 H11 Cl O3
• Calculated formula: C15 H11 Cl O3
• SMILES: Clc1ccc(C(=O)OCC(=O)c2ccccc2)cc1
• Title of publication: Benzoylmethyl 4-chlorobenzoate
• Authors of publication: Jin, Yi; Guo, Jian-Nan; Lin, Kan; Tang, Guo; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o507 - o507
• a: 14.7634 ± 0.0006 Å
• b: 16.4509 ± 0.0006 Å
• c: 15.8214 ± 0.0005 Å
• α: 90°
• β: 92.105 ± 0.004°
• γ: 90°
• Cell volume: 3840 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1096
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes