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Information card for entry 1574233
Preview
| Coordinates | 1574233.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>rac</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>,10<i>H</i>,11<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole-8-carboxylic acid |
|---|---|
| Formula | C11 H16 N2 O2 Se |
| Calculated formula | C11 H16 N2 O2 Se |
| Title of publication | rac-4H,5H,6H,7H,8H,9H,10H,11H-Cyclodeca[d][1,2,3]selenadiazole-8-carboxylic acid |
| Authors of publication | Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 3 |
| a | 7.4231 ± 0.0004 Å |
| b | 13.2052 ± 0.0005 Å |
| c | 12.2802 ± 0.0007 Å |
| α | 90° |
| β | 99.725 ± 0.004° |
| γ | 90° |
| Cell volume | 1186.45 ± 0.1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298601 (current) | 2025-03-26 | cif/ Adding structures of 1574233 via cif-deposit CGI script. |
1574233.cif |
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Users of the data should acknowledge the original authors of the
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