Information card for entry 7226497

Structure parameters

• Formula: C15 H12 Cl2 O3
• Calculated formula: C15 H12 Cl2 O3
• SMILES: Cl[C@@H](c1ccc2ccccc2c1)[C@H](Cl)C(=O)C(=O)OC.Cl[C@H](c1ccc2ccccc2c1)[C@@H](Cl)C(=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: 7.1786 ± 0.0003 Å
• b: 20.0394 ± 0.0012 Å
• c: 20.1954 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2905.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.3392
• Weighted residual factors for all reflections included in the refinement: 0.3637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No