Information card for entry 7131908

Structure parameters

• Formula: C43 H58 F N2 P Si
• Calculated formula: C43 H58 F N2 P Si
• SMILES: P1([Si@]2(NC(C)(C)C)N(C(C)(C)C)C=C(C2=C2C=CC=C[C@@H]2[C@@H]2C31C[C@@H]1CC2C[C@H](C3)C1)c1cccc(F)c1)C12CC3CC(C1)CC(C3)C2.P1([Si@@]2(NC(C)(C)C)N(C(C)(C)C)C=C(C2=C2C=CC=C[C@H]2[C@H]2C31C[C@H]1CC2C[C@@H](C3)C1)c1cccc(F)c1)C12CC3CC(C1)CC(C3)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: 26.734 ± 0.002 Å
• b: 26.734 ± 0.002 Å
• c: 10.4241 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7450.2 ± 1.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No