Information card for entry 1507622

Structure parameters

• Formula: C7 H4 B Cl F3 K O
• Calculated formula: C7 H4 B Cl F3 K O
• Title of publication: Synthesis of acyltrifluoroborates.
• Authors of publication: Dumas, Aaron M.; Bode, Jeffrey W.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2138 - 2141
• a: 18.4245 ± 0.0006 Å
• b: 6.8593 ± 0.0002 Å
• c: 7.259 ± 0.0003 Å
• α: 90°
• β: 95.853 ± 0.002°
• γ: 90°
• Cell volume: 912.6 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No