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Information card for entry 7240992
Preview
| Coordinates | 7240992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl TPHAP |
|---|---|
| Formula | C25 H21 F12 N9 O0.5 P2 |
| Calculated formula | C25 H21 F12 N9 O0.5 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 | 17.1313 ± 0.0006 Å |
| b | 17.1313 ± 0.0006 Å |
| c | 20.8643 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6123.3 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.169 |
| Residual factor for significantly intense reflections | 0.1137 |
| Weighted residual factors for significantly intense reflections | 0.3326 |
| Weighted residual factors for all reflections included in the refinement | 0.3747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7240992.cif |
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