Information card for entry 1573784

Structure parameters

• Formula: C54 H80 B2 N4 P2 Si2
• Calculated formula: C54 H80 B2 N4 P2 Si2
• SMILES: [B]12(N(c3c(cccc3C(C)C)C(C)C)C(=N[P]1(C(C)(C)C)C(C)(C)C)c1ccccc1)[Si]1[B]3(N(c4c(cccc4C(C)C)C(C)C)C(=N[P]3(C(C)(C)C)C(C)(C)C)c3ccccc3)[Si]2=1
• 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: 9.951 ± 0.0004 Å
• b: 24.2287 ± 0.001 Å
• c: 11.914 ± 0.0005 Å
• α: 90°
• β: 114.187 ± 0.0013°
• γ: 90°
• Cell volume: 2620.29 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1254
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No