Information card for entry 4022262

Structure parameters

• Formula: C13 H24 F3 N3 O5 Os
• Calculated formula: C13 H23 F3 N3 O5 Os
• SMILES: [Os]12(=O)(=O)(O[C@H]3[C@@H](O1)CC[C@H]3NC(=O)C(F)(F)F)[N](C)(C)CC[N]2(C)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: 9.037 ± 0.003 Å
• b: 10.391 ± 0.006 Å
• c: 10.441 ± 0.004 Å
• α: 90°
• β: 112.68 ± 0.03°
• γ: 90°
• Cell volume: 904.6 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0276
• Goodness-of-fit parameter for all reflections: 1.73
• Goodness-of-fit parameter for significantly intense reflections: 1.576
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No