Information card for entry 4071902

Structure parameters

• Formula: C20 H28 O8 Os
• Calculated formula: C20 H28 O8 Os
• SMILES: [Os]123456(OC(=CC(=[O]1)OC)OC)(C(C(=O)OC)C(=O)OC)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)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: 12.114 ± 0.002 Å
• b: 12.583 ± 0.002 Å
• c: 14.151 ± 0.003 Å
• α: 90°
• β: 100.732 ± 0.003°
• γ: 90°
• Cell volume: 2119.3 ± 0.7 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No