Information card for entry 7123287

Structure parameters

• Formula: C23 H51 B3 F2 K N3 O7
• Calculated formula: C23 H51 B3 F2 K N3 O7
• Title of publication: Difluoromethane as a precursor to difluoromethyl borates
• Authors of publication: Geri, Jacob B.; Aguilera, Ellen Y.; Szymczak, Nathaniel K.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7895 ± 0.00011 Å
• b: 13.33093 ± 0.00019 Å
• c: 26.4981 ± 0.0004 Å
• α: 90°
• β: 90.0781 ± 0.0012°
• γ: 90°
• Cell volume: 3104.84 ± 0.08 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No