Information card for entry 4021720

Structure parameters

• Formula: C26 H38 N2 O3 Os
• Calculated formula: C26 H38 N2 O3 Os
• SMILES: [Os]12(=O)(N(CCN1c1c(cccc1C)C)c1c(cccc1C)C)O[C@H]([C@@H](O2)CCC)CCC.[Os]12(=O)(N(CCN1c1c(cccc1C)C)c1c(cccc1C)C)O[C@@H]([C@H](O2)CCC)CCC
• Title of publication: New Osmium-Based Reagent for the Dihydroxylation of Alkenes
• Authors of publication: Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4481 - 4489
• a: 9.3653 ± 0.0002 Å
• b: 17.3355 ± 0.0004 Å
• c: 16.0132 ± 0.0003 Å
• α: 90°
• β: 94.3128 ± 0.001°
• γ: 90°
• Cell volume: 2592.42 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0623
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No