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Information card for entry 7239005
Preview
| Coordinates | 7239005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ethyl 6-nitro-1H-indazole-3-carboxylate |
|---|---|
| Formula | C10 H9 N3 O4 |
| Calculated formula | C10 H9 N3 O4 |
| Title of publication | Regioselective ethoxy-carbonylation of indoles and indazoles using DEAD and tetraethylammonium cyanide |
| Authors of publication | Ramesh, Samikannu; Arunachalam, Pirama Nayagam; Lalitha, Appaswami |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 23 |
| Pages of publication | 8666 |
| a | 7.343 ± 0.0007 Å |
| b | 12.189 ± 0.0011 Å |
| c | 12.8943 ± 0.0011 Å |
| α | 70.277 ± 0.008° |
| β | 87.489 ± 0.007° |
| γ | 81.431 ± 0.008° |
| Cell volume | 1074.23 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1483 |
| Residual factor for significantly intense reflections | 0.0965 |
| Weighted residual factors for significantly intense reflections | 0.2696 |
| Weighted residual factors for all reflections included in the refinement | 0.324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244504 (current) | 2019-11-28 | cif/ Adding structures of 7239005 via cif-deposit CGI script. |
7239005.cif |
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