Information card for entry 7117030

Structure parameters

• Formula: C16 H17 O3 P
• Calculated formula: C16 H17 O3 P
• SMILES: P(=O)(CC(=O)[C@H](O)C)(c1ccccc1)c1ccccc1
• Title of publication: Methyltrioxorhenium-catalyzed highly selective dihydroxylation of 1,2-allenylic diphenyl phosphine oxides
• Authors of publication: Junli Hou; Yang Chen; Dongmei Ma; Burghard Cordes; Jingyun Wang; Xin Wang; Fritz E. Kuhn; Hao Guo; Mingdong Zhou
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7439
• a: 5.8589 ± 0.0019 Å
• b: 17.826 ± 0.005 Å
• c: 14.463 ± 0.005 Å
• α: 90°
• β: 93.258 ± 0.005°
• γ: 90°
• Cell volume: 1508.1 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0826
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2177
• 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