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Information card for entry 7240991
Preview
| Coordinates | 7240991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ethyl acetate TPHAP |
|---|---|
| Formula | C42 H53 F12 N9 O10 P2 |
| Calculated formula | C42 H53 F12 N9 O10 P2 |
| Title of publication | Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis |
| Authors of publication | Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 8.6426 ± 0.0003 Å |
| b | 17.2337 ± 0.0006 Å |
| c | 18.5797 ± 0.0003 Å |
| α | 109.028 ± 0.003° |
| β | 99.333 ± 0.002° |
| γ | 91.867 ± 0.003° |
| Cell volume | 2570.64 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1012 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1747 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254820 (current) | 2020-08-05 | cif/ Adding structures of 7240990, 7240991, 7240992, 7240993 via cif-deposit CGI script. |
7240991.cif |
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Users of the data should acknowledge the original authors of the
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