Information card for entry 4129341

Structure parameters

• Formula: C19 H15 B F N O2
• Calculated formula: C19 H15 B F N O2
• SMILES: F[B]1(Oc2c(c3[n]1cccc3)cccc2)C(=O)c1ccc(C)cc1
• Title of publication: Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.
• Authors of publication: Noda, Hidetoshi; Bode, Jeffrey W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 11
• Pages of publication: 3958 - 3966
• a: 8.0565 ± 0.0007 Å
• b: 9.3185 ± 0.0008 Å
• c: 11.2177 ± 0.0009 Å
• α: 71.286 ± 0.002°
• β: 88.038 ± 0.002°
• γ: 76.741 ± 0.002°
• Cell volume: 775.67 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No