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Information card for entry 1573209
Preview
| Coordinates | 1573209.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (10<i>Z</i>)-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole |
|---|---|
| Formula | C10 H14 N2 Se |
| Calculated formula | C10 H14 N2 Se |
| Title of publication | (10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole |
| Authors of publication | Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 11 |
| a | 7.9646 ± 0.0006 Å |
| b | 17.083 ± 0.0015 Å |
| c | 8.0572 ± 0.0006 Å |
| α | 90° |
| β | 111.425 ± 0.006° |
| γ | 90° |
| Cell volume | 1020.5 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296008 (current) | 2024-11-20 | cif/ Adding structures of 1573209 via cif-deposit CGI script. |
1573209.cif |
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