Information card for entry 7131906

Structure parameters

• Formula: C49 H63 N2 P Si
• Calculated formula: C49 H63 N2 P Si
• SMILES: P1([Si@]2(N(C(=C(c3ccccc3)C2=C2C=CC=C[C@H]2[C@H]2C31C[C@@H]1CC2C[C@H](C3)C1)c1ccccc1)C(C)(C)C)NC(C)(C)C)C12CC3CC(C2)CC(C1)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: 13.281 ± 0.003 Å
• b: 16.693 ± 0.003 Å
• c: 18.753 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4157.5 ± 1.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No