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Information card for entry 8105855
Preview
| Coordinates | 8105855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H34 N4 O6 S2 |
|---|---|
| Calculated formula | C32 H34 N4 O6 S2 |
| Title of publication | Crystal structure of 2-(4-ammoniocyclohexyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium 2-[(2-carboxylatophenyl)disulfanyl]benzoate dihydrate, [C18H22N4][C14H8O4S2] ⋅ 2H2O |
| Authors of publication | Tan, Sang Loon; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 797 - 799 |
| a | 9.7616 ± 0.0001 Å |
| b | 16.7411 ± 0.0002 Å |
| c | 18.6843 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3053.39 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278120 (current) | 2022-09-23 | cif/ Adding structures of 8105855 via cif-deposit CGI script. |
8105855.cif |
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Users of the data should acknowledge the original authors of the
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