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Information card for entry 1529355
Preview
| Coordinates | 1529355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 O4 Te |
|---|---|
| Calculated formula | C14 H16 O4 Te |
| SMILES | [Te]12(OC(=O)C3=C1CCCC3)OC(=O)C1=C2CCCC1 |
| Title of publication | Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives. |
| Authors of publication | Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J. |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2015 |
| Journal volume | 20 |
| Journal issue | 7 |
| Pages of publication | 12670 - 12685 |
| a | 15.7046 ± 0.0002 Å |
| b | 8.83038 ± 0.00016 Å |
| c | 19.1603 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2657.1 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152924 (current) | 2015-08-05 | cif/ Adding structures of 1529355 via cif-deposit CGI script. |
1529355.cif |
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