Information card for entry 7229461

Structure parameters

• Chemical name: 5,10,15-tris(pentafluorophenyl)-20-(3,4-dimethoxyphenyl)porphyrin
• Formula: C47 H22 F15 N4 O3
• Calculated formula: C47 H22 F15 N4 O3
• Title of publication: Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins
• Authors of publication: Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 50610
• a: 11.536 ± 0.0002 Å
• b: 26.8989 ± 0.0006 Å
• c: 15.0809 ± 0.0003 Å
• α: 90°
• β: 109.961 ± 0.002°
• γ: 90°
• Cell volume: 4398.56 ± 0.16 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.3001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.392
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No