Information card for entry 7038215

Structure parameters

• Common name: DAC-BCl-N(iPr)2-radical
• Formula: C33 H45 B Cl N3 O2
• Calculated formula: C33 H45 B Cl N3 O2
• Title of publication: Reduction of a diamidocarbene-supported borenium cation: isolation of a neutral boryl-substituted radical and a carbene-stabilized aminoborylene.
• Authors of publication: Ledet, Anthony D.; Hudnall, Todd W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9820 - 9826
• a: 8.2331 ± 0.0018 Å
• b: 11.975 ± 0.003 Å
• c: 16.574 ± 0.004 Å
• α: 75.271 ± 0.005°
• β: 87.907 ± 0.005°
• γ: 84.925 ± 0.004°
• Cell volume: 1574 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No