Information card for entry 7226064

Structure parameters

• Chemical name: (E)-N-(2-fluoro-2-(1H-imidazol-1-yl)vinyl)-1,1-diphenylmethanimine
• Formula: C18 H14 F N3
• Calculated formula: C18 H14 F N3
• SMILES: F/C(=C/N=C(c1ccccc1)c1ccccc1)n1cncc1
• Title of publication: One-pot syntheses of N-(α-fluorovinyl)azole derivatives from N-(diphenylmethylene)-2,2,2-trifluoroethanamine
• Authors of publication: Zhang, Donghua; Liu, Haihua; Zhu, Pengcheng; Meng, Weidong; Huang, Yangen
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.382 ± 0.002 Å
• b: 9.834 ± 0.002 Å
• c: 14.321 ± 0.003 Å
• α: 90°
• β: 109.4 ± 0.03°
• γ: 90°
• Cell volume: 1511.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No