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Information card for entry 2232691
Preview
Coordinates | 2232691.cif |
---|---|
Structure factors | 2232691.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^- Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine |
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Formula | C33 H3 F20 N3 O4 |
Calculated formula | C33 H3 F20 N3 O4 |
SMILES | O=C(c1c(F)c(F)c(c(c1F)F)F)N(C(=O)c1c(F)c(F)c(c(c1F)F)F)c1cccc(n1)N(C(=O)c1c(F)c(F)c(c(c1F)F)F)C(=O)c1c(F)c(F)c(c(c1F)F)F |
Title of publication | <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine |
Authors of publication | Valkonen, Arto; Kolehmainen, Erkki; Ośmiałowski, Borys |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | o3429 - o3430 |
a | 21.237 ± 0.0005 Å |
b | 6.394 ± 0.0001 Å |
c | 23.1045 ± 0.0005 Å |
α | 90° |
β | 100.585 ± 0.001° |
γ | 90° |
Cell volume | 3083.96 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232691.html
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