Information card for entry 1573785

Structure parameters

• Formula: C27 H40 Cl N2 P Si
• Calculated formula: C27 H40 Cl N2 P Si
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=NP(C(C)(C)C)(C(C)(C)C)=[Si]1Cl)c1ccccc1
• 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: 15.8487 ± 0.0006 Å
• b: 10.8456 ± 0.0004 Å
• c: 16.0281 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755.05 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No