Information card for entry 7131905

Structure parameters

• Formula: C49 H63 N2 P Si
• Calculated formula: C49 H63 N2 P Si
• SMILES: P1([Si@@]2(N(C(=C(c3ccccc3)/C2=C2/[C@@H]([C@@H]3C41C[C@H]1CC3C[C@@H](C4)C1)C=CC=C2)c1ccccc1)C(C)(C)C)NC(C)(C)C)C12CC3CC(CC(C3)C1)C2
• 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: 16.6726 ± 0.0008 Å
• b: 13.2923 ± 0.0006 Å
• c: 18.7216 ± 0.0009 Å
• α: 90°
• β: 90.063 ± 0.002°
• γ: 90°
• Cell volume: 4149 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No