Information card for entry 7157742

Structure parameters

• Formula: C24 H20 F N3 O
• Calculated formula: C24 H20 F N3 O
• Title of publication: Intermolecular fluoroamination of allenes towards substituted vinyl fluorides
• Authors of publication: Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 9044 - 9049
• a: 5.4142 ± 0.0007 Å
• b: 20.89 ± 0.003 Å
• c: 8.3858 ± 0.0011 Å
• α: 90°
• β: 92.126 ± 0.004°
• γ: 90°
• Cell volume: 947.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No