Information card for entry 4117200

Structure parameters

• Common name: H~2~F~20~DPP
• Chemical name: 5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octaphenyl- porphyrin
• Formula: C96 H50 Cl8 F20 N4
• Calculated formula: C96 H50 Cl8 F20 N4
• Title of publication: Conformational Flexibility in Dodecasubstituted Porphyrins
• Authors of publication: Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 10918 - 10919
• a: 28.605 ± 0.002 Å
• b: 28.605 ± 0.002 Å
• c: 9.969 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8157.1 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.1088
• Goodness-of-fit parameter for all reflections: 0.727
• Goodness-of-fit parameter for significantly intense reflections: 0.741
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No