Information card for entry 4306601

Structure parameters

• Formula: C32 H40 B Cl N2
• Calculated formula: C32 H40 B Cl N2
• SMILES: ClC1=CN(B(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reluctance of 4-Chloro-5-metalla-1,3,2-diazaborolines To Undergo Metal Halide β-Elimination: An Opportunity for C-Functionalization of 1,3,2-Diazaborolines
• Authors of publication: Emrah Giziroglu; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9751 - 9753
• a: 9.018 ± 0.007 Å
• b: 16.403 ± 0.013 Å
• c: 19.315 ± 0.016 Å
• α: 89.827 ± 0.011°
• β: 89.986 ± 0.011°
• γ: 89.399 ± 0.011°
• Cell volume: 2857 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No