Information card for entry 4034126

Structure parameters

• Formula: C22 H30 B O P
• Calculated formula: C22 H30 B O P
• SMILES: [P@]1(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: 16.4461 ± 0.0014 Å
• b: 10.0756 ± 0.0009 Å
• c: 19.0236 ± 0.0017 Å
• α: 90°
• β: 91.813 ± 0.001°
• γ: 90°
• Cell volume: 3150.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No