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Information card for entry 2240945
Preview
| Coordinates | 2240945.cif |
|---|---|
| Structure factors | 2240945.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-Trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine |
|---|---|
| Formula | C10 H12 Cl3 N Te |
| Calculated formula | C10 H12 Cl3 N Te |
| SMILES | Cl[Te]1(Cl)(Cl)[C@H]2CCC[C@H]2[n+]2c1cccc2.Cl[Te]1(Cl)(Cl)[C@@H]2CCC[C@@H]2[n+]2c1cccc2 |
| Title of publication | Crystal structure of <i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine |
| Authors of publication | Askerov, Rizvan K.; Lukiyanova, Julia M.; Matsulevich, Zhanna V.; Borisov, Alexander V.; Khrustalev, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o598 - o599 |
| a | 14.3279 ± 0.0006 Å |
| b | 11.2539 ± 0.0005 Å |
| c | 16.2967 ± 0.0007 Å |
| α | 90° |
| β | 94.546 ± 0.001° |
| γ | 90° |
| Cell volume | 2619.5 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240945.cif 2240945.hkl |
| 181909 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240945.cif 2240945.hkl |
| 152447 | 2015-07-23 | cif/ hkl/ Adding structures of 2240945 via cif-deposit CGI script. |
2240945.cif 2240945.hkl |
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