Information card for entry 4131711

Structure parameters

• Formula: C36 H33 P3 Si3
• Calculated formula: C36 H33 P3 Si3
• Title of publication: Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C₆F₅)₃-Mediated Formation of P-Si Bonds.
• Authors of publication: Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 46
• Pages of publication: 16780 - 16790
• a: 12.0012 ± 0.0006 Å
• b: 6.1504 ± 0.0003 Å
• c: 22.4927 ± 0.0011 Å
• α: 90°
• β: 97.606 ± 0.003°
• γ: 90°
• Cell volume: 1645.63 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No