Information card for entry 7129492

Structure parameters

• Formula: C26 H30 B N
• Calculated formula: C26 H30 B N
• SMILES: [n]12ccccc1c1ccccc1[B]2(c1c(cc(cc1C)C)C)C1CCCCC1
• 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: 8.3499 ± 0.0007 Å
• b: 20.1352 ± 0.0016 Å
• c: 12.4684 ± 0.0009 Å
• α: 90°
• β: 92.264 ± 0.003°
• γ: 90°
• Cell volume: 2094.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0789
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No