Information card for entry 7159802

Structure parameters

• Chemical name: 5,15-perfluoropropyl-10-(4-cyanophenyl)-corrole
• Formula: C32.5 H16 Cl F14 N5
• Calculated formula: C32.5 H16 Cl F14 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: 9.21263 ± 0.00019 Å
• b: 12.5354 ± 0.0002 Å
• c: 15.5289 ± 0.0003 Å
• α: 111.284 ± 0.0018°
• β: 103.501 ± 0.0018°
• γ: 95.1944 ± 0.0016°
• Cell volume: 1594.14 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0765
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No