Information card for entry 7129491

Structure parameters

• Formula: C27.5 H35 B Br Cl3 N2
• Calculated formula: C27.5 H35 B Br Cl3 N2
• SMILES: [B]1([n]2ccc(C)cc2c2cc(C)cc[n+]12)(c1c(cc(cc1C)C)C)C1CCCC1.[Br-].ClCCl.ClCCl
• Title of publication: Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.
• Authors of publication: Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 10
• Pages of publication: 1589 - 1592
• a: 18.7324 ± 0.0016 Å
• b: 13.6027 ± 0.0016 Å
• c: 46.542 ± 0.004 Å
• α: 90°
• β: 96.679 ± 0.003°
• γ: 90°
• Cell volume: 11779 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No