Information card for entry 1573783

Structure parameters

• Formula: C27 H41 Cl2 N2 P Si
• Calculated formula: C27 H41 Cl2 N2 P Si
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(c2ccccc2)=[N](P(C(C)(C)C)C(C)(C)C)[SiH]1(Cl)Cl
• Title of publication: A silicon analogue of a fused bicyclic borirene derivative.
• Authors of publication: Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 4512 - 4518
• a: 8.9802 ± 0.0003 Å
• b: 15.5193 ± 0.0007 Å
• c: 21.2731 ± 0.0008 Å
• α: 90°
• β: 100.955 ± 0.0012°
• γ: 90°
• Cell volume: 2910.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No