Information card for entry 4088637

Structure parameters

• Formula: C28 H53 N Os P2
• Calculated formula: C28 H53 N Os P2
• SMILES: [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2cc(C)cc3c2c1ccc3
• Title of publication: Osmium-Mediated Direct C‒H Bond Activation at the 8-Position of Quinolines
• Authors of publication: Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1597
• a: 8.9257 ± 0.0014 Å
• b: 16.717 ± 0.003 Å
• c: 20.972 ± 0.003 Å
• α: 107.975 ± 0.002°
• β: 91.234 ± 0.003°
• γ: 95.736 ± 0.002°
• Cell volume: 2957.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No