Information card for entry 4131710

Structure parameters

• Formula: C32 H42 P2 Si4
• Calculated formula: C32 H42 P2 Si4
• SMILES: C[Si]1(C)c2ccc(cc2)[Si](C)(P(c2ccccc2)[Si](C)(C)c2ccc(cc2)[Si](P1c1ccccc1)(C)C)C
• 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: 7.792 ± 0.0003 Å
• b: 10.0353 ± 0.0004 Å
• c: 11.4214 ± 0.0005 Å
• α: 95.921 ± 0.002°
• β: 90.442 ± 0.003°
• γ: 111.095 ± 0.002°
• Cell volume: 827.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No