Information card for entry 2237458

Structure parameters

• Chemical name: 1-(5-Bromo-2-chlorophenyl)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane
• Formula: C17 H14 Br Cl3 O
• Calculated formula: C17 H14 Br Cl3 O
• SMILES: Brc1ccc(Cl)c(c1)C1(C(Cl)(Cl)C1)c1ccc(OCC)cc1
• Title of publication: 1-(5-Bromo-2-chlorophenyl)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane
• Authors of publication: Han, Shuwen; Shi, Yongheng; Yuli, Wang; Zhao, Guilong; Xu, Weiren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o405
• a: 27.447 ± 0.013 Å
• b: 8.886 ± 0.004 Å
• c: 28.861 ± 0.014 Å
• α: 90°
• β: 98.348 ± 0.008°
• γ: 90°
• Cell volume: 6964 ± 6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes