Information card for entry 4037054

Structure parameters

• Formula: C32 H39 O3 P
• Calculated formula: C32 H39 O3 P
• SMILES: [P@](=O)(c1ccccc1)([C@H](c1ccccc1)CC(=O)c1ccc(OC)cc1)[C@H]1[C@@H](CC[C@@H](C)C1)C(C)C
• Title of publication: Preparation of Optically Pure Tertiary Phosphine Oxides via the Addition of P-Stereogenic Secondary Phosphine Oxide to Activated Alkenes.
• Authors of publication: Wang, Ji-Ping; Nie, Shao-Zhen; Zhou, Zhong-Yang; Ye, Jing-Jing; Wen, Jing-Hong; Zhao, Chang-Qiu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7644 - 7653
• a: 5.9316 ± 0.0003 Å
• b: 16.4646 ± 0.001 Å
• c: 29.5614 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2887 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No