Information card for entry 4132764

Structure parameters

• Formula: C25 H47 B3 F2 K N3 O6
• Calculated formula: C25 H47 B3 F2 K N3 O6
• Title of publication: The Difluoromethyl Group as a Masked Nucleophile: A Lewis Acid/Base Approach.
• Authors of publication: Geri, Jacob B.; Wade Wolfe, Michael M.; Szymczak, Nathaniel K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9404 - 9408
• a: 9.4486 ± 0.0003 Å
• b: 14.759 ± 0.0003 Å
• c: 22.6127 ± 0.0009 Å
• α: 88.9 ± 0.002°
• β: 89.95 ± 0.003°
• γ: 86.561 ± 0.002°
• Cell volume: 3147.12 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2898
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No