Information card for entry 7158573

Structure parameters

• Formula: C24 H33 B O P
• Calculated formula: C24 H33 B O P
• SMILES: [P@@](c1c(c2c(cccc2)O)cccc1)([C@H]1[C@H](C(C)C)CC[C@H](C1)C)(CC)[BH3]
• Title of publication: The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond
• Authors of publication: Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.6028 ± 0.0009 Å
• b: 14.6741 ± 0.0013 Å
• c: 16.227 ± 0.0015 Å
• α: 90°
• β: 95.398 ± 0.002°
• γ: 90°
• Cell volume: 2276.4 ± 0.4 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: 0.1054
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No