Information card for entry 1519869

Structure parameters

• Formula: C19 H18 B N O
• Calculated formula: C19 H18 B N O
• SMILES: C1Cc2cccc[n]2[B](c2ccccc2)(c2ccccc2)O1
• Title of publication: 2-(2-Ethoxy)pyridine diphenylborinate
• Authors of publication: Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 265
• a: 14.2194 ± 0.0003 Å
• b: 10.2937 ± 0.0002 Å
• c: 20.6731 ± 0.0005 Å
• α: 90°
• β: 95.272 ± 0.001°
• γ: 90°
• Cell volume: 3013.13 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No