Information card for entry 7132663

Structure parameters

• Formula: C25 H16 F3 N3 O2
• Calculated formula: C25 H16 F3 N3 O2
• SMILES: FC(F)(F)C1=C(C(=O)N(C1=O)c1ccccc1)c1n2cccc(c2nc1c1ccccc1)C
• Title of publication: Iodine(III)-promoted oxidative carbotrifluoromethylation of maleimides with imidazopyridines and Langlois' reagent.
• Authors of publication: Lai, Dipti; Bhattacharjee, Suvam; Mandal, Saurodeep; Ghosh, Sumit; Sahoo, Prithidipa; Sinha, Subrata; Hajra, Alakananda
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 16
• Pages of publication: 2232 - 2235
• a: 11.571 ± 0.004 Å
• b: 21.464 ± 0.008 Å
• c: 8.872 ± 0.003 Å
• α: 90°
• β: 107.385 ± 0.009°
• γ: 90°
• Cell volume: 2102.8 ± 1.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No