Information card for entry 4022261

Structure parameters

• Formula: C19 H36 Cl5 N3 O5 Os
• Calculated formula: C19 H36 Cl5 N3 O5 Os
• SMILES: [Os]12(=O)(=O)(O[C@H]3[C@@H](O1)[C@@H](NC(=O)C(Cl)(Cl)Cl)C[C@H](C3)C(C)(C)C)[N](C)(C)CC[N]2(C)C.ClCCl.[Os]12(=O)(=O)(O[C@@H]3[C@H](O1)[C@H](NC(=O)C(Cl)(Cl)Cl)C[C@@H](C3)C(C)(C)C)[N](C)(C)CC[N]2(C)C.ClCCl
• 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: 11.595 ± 0.006 Å
• b: 12.862 ± 0.005 Å
• c: 11.561 ± 0.006 Å
• α: 101.31 ± 0.04°
• β: 119.63 ± 0.03°
• γ: 73.15 ± 0.03°
• Cell volume: 1431 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0316
• Goodness-of-fit parameter for all reflections: 1.609
• Goodness-of-fit parameter for significantly intense reflections: 1.521
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No