Information card for entry 2219026

Structure parameters

• Chemical name: Bis[4-(chloroacetyl)phenyl] ether
• Formula: C16 H12 Cl2 O3
• Calculated formula: C16 H12 Cl2 O3
• SMILES: ClCC(=O)c1ccc(Oc2ccc(cc2)C(=O)CCl)cc1
• Title of publication: Bis[4-(chloroacetyl)phenyl] ether
• Authors of publication: Meng, Fan-Lei; Xu, Liang-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1500
• a: 12.597 ± 0.003 Å
• b: 9.2042 ± 0.0018 Å
• c: 25.32 ± 0.005 Å
• α: 90°
• β: 104.18 ± 0.03°
• γ: 90°
• Cell volume: 2846.3 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes