Information card for entry 4023617

Structure parameters

• Formula: C19 H30 O P2
• Calculated formula: C19 H30 O P2
• SMILES: [P@]1(=O)(c2c(P3[C@@H](CC[C@H]3C)C)cccc2)C(CC[C@H]1C)(C)C
• Title of publication: Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands
• Authors of publication: Isabelle Bonnaventure; André B. Charette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6330 - 6340
• a: 9.2647 ± 0.0004 Å
• b: 10.3599 ± 0.0004 Å
• c: 10.529 ± 0.0005 Å
• α: 99.983 ± 0.003°
• β: 93.624 ± 0.003°
• γ: 107.887 ± 0.003°
• Cell volume: 939.84 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No