Information card for entry 7132819

Structure parameters

• Formula: C26 H44 B N2 Si
• Calculated formula: C26 H44 B N2 Si
• SMILES: [Si](N=[B]=C1N(c2c(cccc2C(C)C)C(C)C)C(C)(C)CC21CCCCC2)(C)(C)C
• Title of publication: Synthesis, structure and reactivity of iminoborane radicals.
• Authors of publication: Wang, Hanqiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3806 - 3809
• a: 10.212 ± 0.003 Å
• b: 11.708 ± 0.005 Å
• c: 12.522 ± 0.004 Å
• α: 106.885 ± 0.01°
• β: 100.518 ± 0.014°
• γ: 90.377 ± 0.011°
• Cell volume: 1405.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No