Information card for entry 4034135

Structure parameters

• Formula: C23 H29.66667 O2.33333 P
• Calculated formula: C23 H29.6667 O2.33333 P
• SMILES: [P@]1(=O)(c2ccccc2c2ccccc2OC1)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C.O
• Title of publication: Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.
• Authors of publication: Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 13
• Pages of publication: 8423 - 8439
• a: 10.0256 ± 0.0009 Å
• b: 13.1759 ± 0.0011 Å
• c: 24.608 ± 0.002 Å
• α: 90°
• β: 97.774 ± 0.002°
• γ: 90°
• Cell volume: 3220.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No