Information card for entry 2232723

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
• Formula: C17 H15 Cl O5
• Calculated formula: C17 H15 Cl O5
• SMILES: Clc1ccc(cc1)C(=O)COC(=O)c1ccc(OC)c(OC)c1
• Title of publication: 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Vijesh, A. M.; Isloor, A. M.; Arulmoli, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3351
• a: 8.2277 ± 0.0006 Å
• b: 9.338 ± 0.0006 Å
• c: 10.5986 ± 0.0007 Å
• α: 89.062 ± 0.002°
• β: 76.752 ± 0.002°
• γ: 83.674 ± 0.002°
• Cell volume: 787.76 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes