Information card for entry 7132820

Structure parameters

• Formula: C35 H62 B N3 O Si
• Calculated formula: C35 H62 B N3 O Si
• SMILES: [Si](N=[B](ON1C(C)(C)CCCC1(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C(CC21CCCCC2)(C)C)(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: 10.2572 ± 0.0003 Å
• b: 18.663 ± 0.0005 Å
• c: 19.5822 ± 0.0005 Å
• α: 90°
• β: 99.642 ± 0.001°
• γ: 90°
• Cell volume: 3695.67 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No