Information card for entry 7045107

Structure parameters

• Formula: C28 H30 B N3
• Calculated formula: C28 H30 B N3
• Title of publication: Azaborines: synthesis and use in the generation of stabilized boron-substituted carbocations.
• Authors of publication: Clarke, J. J.; Eisenberger, P.; Piotrkowski, S. S.; Crudden, C. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1791 - 1795
• a: 12.1379 ± 0.0004 Å
• b: 9.8806 ± 0.0004 Å
• c: 18.5754 ± 0.0006 Å
• α: 90°
• β: 90.151 ± 0.002°
• γ: 90°
• Cell volume: 2227.74 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No