Information card for entry 4034131

Structure parameters

• Formula: C22 H30 B O3 P S
• Calculated formula: C22 H30 B O3 P S
• SMILES: [P@@]1(OS(=O)Oc2c(c3c1cccc3)cccc2)([BH3])[C@H]1[C@@H](CC[C@H](C1)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: 9.0198 ± 0.0007 Å
• b: 16.1608 ± 0.0012 Å
• c: 16.3197 ± 0.0013 Å
• α: 90°
• β: 102.423 ± 0.003°
• γ: 90°
• Cell volume: 2323.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No