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Information card for entry 2241091
Preview
| Coordinates | 2241091.cif |
|---|---|
| Structure factors | 2241091.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triethyl 2-(5-nitro-2<i>H</i>-indazol-2-yl)propane-1,2,3-tricarboxylate |
|---|---|
| Formula | C19 H23 N3 O8 |
| Calculated formula | C19 H23 N3 O8 |
| Title of publication | Crystal structure of triethyl 2-(5-nitro-2<i>H</i>-indazol-2-yl)propane-1,2,3-tricarboxylate |
| Authors of publication | Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o780 - o781 |
| a | 13.4555 ± 0.0004 Å |
| b | 18.6185 ± 0.0006 Å |
| c | 8.5258 ± 0.0003 Å |
| α | 90° |
| β | 104.603 ± 0.001° |
| γ | 90° |
| Cell volume | 2066.9 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241091.cif 2241091.hkl |
| 158345 | 2015-09-26 | cif/ hkl/ Adding structures of 2241091 via cif-deposit CGI script. |
2241091.cif 2241091.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.