Information card for entry 7713821

Structure parameters

• Common name: (C,R,R)-(Bdan)OsO . CH3OH
• Chemical name: (C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium methanol solvate
• Formula: C47 H60 N2 O8 Os
• Calculated formula: C47 H60 N2 O8 Os
• SMILES: [Os]123(=O)Oc4c(N2c2c(C(=O)O[C@H](C)[C@H](OC(=O)c5c(N3c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cccc5)C)cccc2)cc(cc4C(C)(C)C)C(C)(C)C.OC
• Title of publication: Optically active bis(aminophenols) and their metal complexes
• Authors of publication: Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.7929 ± 0.0003 Å
• b: 18.4722 ± 0.0004 Å
• c: 37.6599 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8899.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No