Information card for entry 4071903

Structure parameters

• Formula: C29 H35 Cl N O6 Os P
• Calculated formula: C29 H35 Cl N O6 Os P
• SMILES: [Os]12345(Cl)([P]6(Oc7c(cccc7)c7c(O6)cccc7)N(C)C)(C(C(=O)OC)C(=O)OC)[c]6([cH]1[cH]2[c]3(C)[cH]4[cH]56)C(C)C
• Title of publication: Osmium-Catalyzed Allylic Alkylation
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4892
• a: 17.82 ± 0.003 Å
• b: 16.545 ± 0.002 Å
• c: 19.229 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5669.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No