Information card for entry 7159803

Structure parameters

• Chemical name: 5,15-bis-trifluoromethyl-10-(p-tolyl)-corrole
• Formula: C31 H21 F6 N4
• Calculated formula: C31 H21 F6 N4
• SMILES: FC(F)(F)C1=c2[nH]c(=C(c3[nH]c(C(=c4nc(c5[nH]c1cc5)cc4)C(F)(F)F)cc3)c1ccc(cc1)C)cc2.c1ccccc1
• Title of publication: Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.
• Authors of publication: Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 1993 - 1997
• a: 23.5597 ± 0.0004 Å
• b: 11.55887 ± 0.00018 Å
• c: 19.1588 ± 0.0003 Å
• α: 90°
• β: 93.2727 ± 0.0013°
• γ: 90°
• Cell volume: 5208.88 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0861
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No