Information card for entry 7127180

Structure parameters

• Formula: C17 H24 B P
• Calculated formula: C17 H24 B P
• SMILES: [BH3][P@@](c1ccc(cc1)c1ccccc1)(C)C(C)(C)C
• Title of publication: Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.
• Authors of publication: Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11775 - 11778
• a: 6.6359 ± 0.0009 Å
• b: 7.5137 ± 0.001 Å
• c: 34.018 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No