Information card for entry 7226496

Structure parameters

• Formula: C11 H8 Cl4 O3
• Calculated formula: C11 H8 Cl4 O3
• SMILES: Clc1c(Cl)ccc(c1)[C@H](Cl)[C@H](Cl)[C@H](O)C(=O)OC.Clc1c(Cl)ccc(c1)[C@@H](Cl)[C@@H](Cl)[C@@H](O)C(=O)OC
• Title of publication: A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins
• Authors of publication: Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 88
• Pages of publication: 85182
• a: 6.5579 ± 0.0007 Å
• b: 7.6349 ± 0.0006 Å
• c: 15.6331 ± 0.0014 Å
• α: 84.549 ± 0.007°
• β: 86.322 ± 0.008°
• γ: 78.859 ± 0.008°
• Cell volume: 763.67 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.3172
• Residual factor for significantly intense reflections: 0.3061
• Weighted residual factors for significantly intense reflections: 0.7294
• Weighted residual factors for all reflections included in the refinement: 0.7473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No