Information card for entry 7159801

Structure parameters

• Chemical name: 5,15-bistrifluoromethyl-10-(4-cyanophenyl)-corrole
• Formula: C28 H15 F6 N5
• Calculated formula: C28 H15 F6 N5
• 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: 8.68015 ± 0.00018 Å
• b: 11.4089 ± 0.0003 Å
• c: 12.586 ± 0.0003 Å
• α: 80.6513 ± 0.0019°
• β: 70.8233 ± 0.0019°
• γ: 81.5848 ± 0.0018°
• Cell volume: 1155.81 ± 0.05 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0491
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No