Information card for entry 4022256

Structure parameters

• Formula: C8 H12 Cl3 N O3
• Calculated formula: C8 H12 Cl2.996 N O3
• SMILES: ClC(Cl)(Cl)C(=O)N[C@]1([C@@H](O)[C@@H](O)CC1)C.ClC(Cl)(Cl)C(=O)N[C@@]1([C@H](O)[C@H](O)CC1)C
• Title of publication: Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA
• Authors of publication: Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 7946 - 7956
• a: 18.172 ± 0.005 Å
• b: 12.733 ± 0.007 Å
• c: 10.866 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2514 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.1593
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No