Information card for entry 1549782

Structure parameters

• Formula: C23 H19 B N2
• Calculated formula: C23 H19 B N2
• SMILES: [n]12ccccc1Nc1c(cccc1)[B]2(c1ccccc1)c1ccccc1
• Title of publication: Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.
• Authors of publication: Yang, Kai; Zhang, Guan; Song, Qiuling
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 39
• Pages of publication: 7666 - 7672
• a: 9.5765 ± 0.0011 Å
• b: 10.1909 ± 0.0012 Å
• c: 10.8774 ± 0.0016 Å
• α: 115.915 ± 0.013°
• β: 106.476 ± 0.011°
• γ: 90.377 ± 0.01°
• Cell volume: 905.1 ± 0.2 ų
• Cell temperature: 294.29 ± 0.18 K
• Ambient diffraction temperature: 294.29 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0571
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No