Information card for entry 4033093

Structure parameters

• Formula: C23 H31 O P
• Calculated formula: C23 H31 O P
• SMILES: [P@](=O)(c1ccccc1)(Cc1ccccc1)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
• Title of publication: Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.
• Authors of publication: Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9425 - 9434
• a: 5.751 ± 0.0002 Å
• b: 8.5852 ± 0.0004 Å
• c: 41.6195 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.9 ± 0.15 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: 0.0466
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No