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Information card for entry 4117200
Preview
Coordinates | 4117200.cif |
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Original paper (by DOI) | HTML |
Common name | H~2~F~20~DPP |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4117200.html
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