Information card for entry 7133176

Structure parameters

• Formula: C5 H8 Cl F2 N
• Calculated formula: C5 H8 Cl F2 N
• Title of publication: Modular synthesis of cyclic β-difluoroamines.
• Authors of publication: Charlesworth, Natalie G.; Arunprasath, Dhanarajan; Graham, Mark A.; Argent, Stephen P.; Datsenko, Oleksandr P.; Mykhailiuk, Pavel K.; Denton, Ross M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 60
• Pages of publication: 7701 - 7704
• a: 10.0074 ± 0.0007 Å
• b: 7.0673 ± 0.0005 Å
• c: 9.5009 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 671.95 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No