Information card for entry 7131903

Structure parameters

• Formula: C46 H65 N2 P Si
• Calculated formula: C46 H65 N2 P Si
• SMILES: P1([Si@]2(N(C=C(C2=C2[C@H]([C@H]3C41C[C@H]1CC3C[C@@H](C4)C1)C=CC=C2)c1ccc(C(C)C)cc1)C(C)(C)C)NC(C)(C)C)C12CC3CC(C1)CC(C2)C3.P1([Si@@]2(N(C=C(C2=C2[C@@H]([C@@H]3C41C[C@@H]1CC3C[C@H](C4)C1)C=CC=C2)c1ccc(C(C)C)cc1)C(C)(C)C)NC(C)(C)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: SiP-heterocycles derived from a bulky phosphanylsilylene
• Authors of publication: Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.1312 ± 0.0007 Å
• b: 11.1624 ± 0.0007 Å
• c: 18.2271 ± 0.0011 Å
• α: 87.154 ± 0.003°
• β: 73.572 ± 0.002°
• γ: 67.701 ± 0.003°
• Cell volume: 2005.6 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No