Information card for entry 7158789

Structure parameters

• Formula: C24 H16 F6 N2
• Calculated formula: C24 H16 F6 N2
• SMILES: FC(F)(F)c1ccc(Cn2c(nc(c2)c2ccccc2)c2ccc(cc2)C(F)(F)F)cc1
• Title of publication: TEMPO mediated oxidative annulation of aryl methyl ketones with amines/ammonium acetate for imidazole synthesis.
• Authors of publication: Geng, Furong; Wu, Shaofeng; Gan, Xinyang; Hou, Wenjuan; Dong, Jianyu; Zhou, Yongbo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 27
• Pages of publication: 5416 - 5422
• a: 7.6201 ± 0.0011 Å
• b: 11.12 ± 0.002 Å
• c: 12.625 ± 0.002 Å
• α: 106.776 ± 0.004°
• β: 99.113 ± 0.004°
• γ: 96.569 ± 0.006°
• Cell volume: 996.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No