Information card for entry 4117201

Structure parameters

• Common name: H~2~F~28~DPP
• Chemical name: 5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphyrin
• Formula: C92 H34 F28 N4
• Calculated formula: C92 H34 F28 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: 16.629 ± 0.001 Å
• b: 8.721 ± 0.001 Å
• c: 25.7 ± 0.003 Å
• α: 90°
• β: 105.59 ± 0.01°
• γ: 90°
• Cell volume: 3589.9 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No