Information card for entry 8106859

Structure parameters

• Chemical name: 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone
• Formula: C14 H10 Cl2 O2
• Calculated formula: C14 H10 Cl2 O2
• SMILES: Clc1ccc(C(=O)C)c(Oc2ccc(Cl)cc2)c1
• Title of publication: The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
• Authors of publication: Jianlong, Wang; Lizhen, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 309 - 310
• a: 13.448 ± 0.007 Å
• b: 7.6635 ± 0.0005 Å
• c: 13.638 ± 0.006 Å
• α: 90°
• β: 117.14 ± 0.06°
• γ: 90°
• Cell volume: 1250.8 ± 1.1 ų
• Cell temperature: 104.8 K
• Ambient diffraction temperature: 104.8 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: 0.0384
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No