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Information card for entry 7156222
Preview
| Coordinates | 7156222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H56 N6 S2 |
|---|---|
| Calculated formula | C58 H56 N6 S2 |
| Title of publication | Push-pull quinoidal porphyrins. |
| Authors of publication | Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 19 |
| Pages of publication | 3648 - 3654 |
| a | 36.962 ± 0.008 Å |
| b | 14.668 ± 0.003 Å |
| c | 40.822 ± 0.009 Å |
| α | 90° |
| β | 91.783 ± 0.002° |
| γ | 90° |
| Cell volume | 22121 ± 8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2409 |
| Residual factor for significantly intense reflections | 0.2034 |
| Weighted residual factors for significantly intense reflections | 0.4944 |
| Weighted residual factors for all reflections included in the refinement | 0.5174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.6932 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230727 (current) | 2019-11-17 | cif/ Updating files of 7156219, 7156220, 7156221, 7156222, 7156223 Original log message: Adding full bibliography for 7156219--7156223.cif. |
7156222.cif |
| 207457 | 2018-04-24 | cif/ Adding structures of 7156219, 7156220, 7156221, 7156222, 7156223 via cif-deposit CGI script. |
7156222.cif |
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Users of the data should acknowledge the original authors of the
structural data.