Information card for entry 7133026

Structure parameters

• Formula: C57 H67 B N4 O2 Si
• Calculated formula: C57 H67 B N4 O2 Si
• SMILES: [Si]12(Oc3c4ccccc4c4c(c3O1)cccc4)([N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C)C#CB1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.
• Authors of publication: Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 45
• Pages of publication: 5828 - 5831
• a: 12.9587 ± 0.0003 Å
• b: 24.1745 ± 0.0005 Å
• c: 16.8361 ± 0.0004 Å
• α: 90°
• β: 103.559 ± 0.001°
• γ: 90°
• Cell volume: 5127.2 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0791
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No