Information card for entry 4133900

Structure parameters

• Formula: C87 H122 B3 Li N8 O Si
• Calculated formula: C87 H122 B3 Li N8 O Si
• SMILES: [Si]1([C]23[C]41=[N](C15CC6CC(C5)CC(C1)C6)[Li]34([N]=2C12CC3CC(C1)CC(C2)C3)[O]1CCCC1)B1N(CCN1B1N(c2c(cccc2C(C)C)C(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.c1(ccccc1)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: 13.644 ± 0.003 Å
• b: 17.783 ± 0.004 Å
• c: 18.523 ± 0.004 Å
• α: 76.41 ± 0.03°
• β: 80 ± 0.03°
• γ: 69.32 ± 0.03°
• Cell volume: 4066.6 ± 1.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No