Information card for entry 7123288

Structure parameters

• Formula: C25 H49 B F2 K N O7
• Calculated formula: C25 H49 B F2 K N 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: 8.68523 ± 0.0001 Å
• b: 23.9407 ± 0.0003 Å
• c: 14.40125 ± 0.00017 Å
• α: 90°
• β: 99.9323 ± 0.0011°
• γ: 90°
• Cell volume: 2949.58 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0415
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No