Information card for entry 1551581

Structure parameters

• Formula: C21 H22 B N O
• Calculated formula: C21 H22 B N O
• SMILES: [O](=CN(C)C)[B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal Structure of a Tetracoordinate Organoboron Coordination Compound, Dimethylformamide-triphenylborane Complex
• Authors of publication: SAKIYAMA, Hiroshi; ICHI, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 29
• a: 16.6818 ± 0.0012 Å
• b: 11.5428 ± 0.0008 Å
• c: 9.2234 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No