Information card for entry 7159800

Structure parameters

• Chemical name: 5,15-bis-trifluoromethyl-10-(p-anisyl)-corrole
• Formula: C34 H24 F6 N4 O
• Calculated formula: C34 H24 F6 N4 O
• SMILES: FC(F)(F)C1=c2[nH]c(=C(c3[nH]c(C(=c4nc(c5[nH]c1cc5)cc4)C(F)(F)F)cc3)c1ccc(OC)cc1)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: 10.9445 ± 0.001 Å
• b: 11.6383 ± 0.0009 Å
• c: 12.2119 ± 0.0009 Å
• α: 102.813 ± 0.007°
• β: 106.382 ± 0.007°
• γ: 97.93 ± 0.007°
• Cell volume: 1421.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2826
• Weighted residual factors for all reflections included in the refinement: 0.3258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No