Information card for entry 4133899

Structure parameters

• Formula: C71 H101 B3 Li N7 O Si
• Calculated formula: C71 H101 B3 Li N7 O Si
• SMILES: [Si]1(=[C]2=[N](c3c(cccc3C(C)C)C(C)C)[Li]12[O]1CCCC1)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(cccc1C(C)C)C(C)C
• 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: 13.249 ± 0.003 Å
• b: 22.895 ± 0.005 Å
• c: 23.084 ± 0.005 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 6951 ± 3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No