Information card for entry 1515788

Structure parameters

• Formula: C9 H19 O4 P Si
• Calculated formula: C9 H19 O4 P Si
• SMILES: P(=O)([C@@](O)(C#C[Si](C)(C)C)C)(OC)OC
• Title of publication: Catalytic asymmetric hydrophosphonylation of ynones
• Authors of publication: Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 488
• a: 9.5228 ± 0.0013 Å
• b: 7.4316 ± 0.0011 Å
• c: 9.7945 ± 0.0014 Å
• α: 90°
• β: 103.092 ± 0.003°
• γ: 90°
• Cell volume: 675.14 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No