Information card for entry 4038580

Structure parameters

• Formula: C30 H36 F4 N4
• Calculated formula: C30 H36 F4 N4
• Title of publication: Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.
• Authors of publication: Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.9761 ± 0.0003 Å
• b: 9.3925 ± 0.0002 Å
• c: 25.5523 ± 0.0006 Å
• α: 90°
• β: 102.852 ± 0.002°
• γ: 90°
• Cell volume: 2802.26 ± 0.12 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No