Information card for entry 4034124

Structure parameters

• Formula: C24 H36 B O P
• Calculated formula: C24 H36 B O P
• SMILES: [P@]([BH3])(c1ccccc1c1c(OC)cccc1)([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)C
• 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: 9.0034 ± 0.0007 Å
• b: 15.0541 ± 0.0013 Å
• c: 17.4228 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No