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Information card for entry 8107493
Preview
| Coordinates | 8107493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N2 O2 S4 |
|---|---|
| Calculated formula | C22 H22 N2 O2 S4 |
| SMILES | S1SSSc2n(c3c(c2c2c1n(c1c2cccc1)CCOC)cccc3)CCOC |
| Title of publication | The crystal structure of 5,10-bis(2-methoxyethyl)-5,10-dihydro-[1,2,3,4]tetrathiocino[5,6-b:8, 7-b′]diindole, C22H22N2O2S4 |
| Authors of publication | Ni, Ming; Ni, Penghui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 555 - 557 |
| a | 8.4865 ± 0.0014 Å |
| b | 11.756 ± 0.002 Å |
| c | 12.863 ± 0.002 Å |
| α | 69.693 ± 0.002° |
| β | 70.812 ± 0.002° |
| γ | 72.17 ± 0.002° |
| Cell volume | 1109.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285980 (current) | 2023-09-04 | cif/ Adding structures of 8107493 via cif-deposit CGI script. |
8107493.cif |
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Users of the data should acknowledge the original authors of the
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