Information card for entry 4021574

Structure parameters

• Formula: C10 H13 O P
• Calculated formula: C10 H13 O P
• SMILES: c1(ccccc1)[P@](=O)(C=C)CC
• Title of publication: Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands
• Authors of publication: Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2472 - 2479
• a: 8.8844 ± 0.0002 Å
• b: 9.2378 ± 0.0002 Å
• c: 11.7132 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 961.33 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No