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Information card for entry 1570704
Preview
| Coordinates | 1570704.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole |
|---|---|
| Formula | C9 H10 O Te |
| Calculated formula | C9 H10 O Te |
| Title of publication | 5,6-Dimethylbenzo[d][1,3]oxatellurole |
| Authors of publication | Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 1 |
| a | 13.6947 ± 0.0012 Å |
| b | 23.467 ± 0.002 Å |
| c | 5.2287 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1680.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288715 (current) | 2024-01-06 | cif/ Adding structures of 1570704 via cif-deposit CGI script. |
1570704.cif |
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