Information card for entry 4119194

Structure parameters

• Formula: C12 H19 O4 P
• Calculated formula: C12 H19 O4 P
• SMILES: P(=O)(OC)(OC)[C@@H](O)[C@@H](c1ccc(C)cc1)C
• Title of publication: Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners
• Authors of publication: Michael T. Corbett; Jeffrey S. Johnson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 594 - 597
• a: 10.6837 ± 0.0003 Å
• b: 5.7318 ± 0.0002 Å
• c: 11.1098 ± 0.0004 Å
• α: 90°
• β: 106.432 ± 0.003°
• γ: 90°
• Cell volume: 652.54 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No