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Information card for entry 1552355
Preview
| Coordinates | 1552355.cif |
|---|---|
| Structure factors | 1552355.hkl |
| Original IUCr paper | HTML |
| Common name | 1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent] |
|---|---|
| Chemical name | 5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent] |
| Formula | C44 H44 N4 O2 S2 |
| Calculated formula | C44 H44 N4 O2 S2 |
| Title of publication | 1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione |
| Authors of publication | Selvakumar, Jayaraman; Arumugam, Kuppuswamy |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | x191268 |
| a | 18.1038 ± 0.0011 Å |
| b | 18.1038 ± 0.0011 Å |
| c | 18.1038 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5933.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 204 |
| Hermann-Mauguin space group symbol | I m -3 |
| Hall space group symbol | -I 2 2 3 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218918 (current) | 2019-09-28 | cif/ hkl/ Adding structures of 1552355 via cif-deposit CGI script. |
1552355.cif 1552355.hkl |
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Users of the data should acknowledge the original authors of the
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