Information card for entry 4133901

Structure parameters

• Formula: C65 H91 B3 Li N7 Si
• Calculated formula: C65 H91 B3 Li N7 Si
• SMILES: [Li]1[N](=[C]1=[Si]B1N(CCN1B1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.
• Authors of publication: Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 50
• Pages of publication: 19600 - 19604
• a: 12.469 ± 0.003 Å
• b: 23.666 ± 0.005 Å
• c: 21.59 ± 0.004 Å
• α: 90°
• β: 100.59 ± 0.03°
• γ: 90°
• Cell volume: 6263 ± 2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No