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Information card for entry 7238872
Preview
| Coordinates | 7238872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H7 N5 O2 |
|---|---|
| Calculated formula | C9 H7 N5 O2 |
| Title of publication | “On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones |
| Authors of publication | Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 21 |
| Pages of publication | 7708 |
| a | 9.8335 ± 0.0007 Å |
| b | 8.2851 ± 0.0006 Å |
| c | 12.1849 ± 0.0008 Å |
| α | 90° |
| β | 102.006 ± 0° |
| γ | 90° |
| Cell volume | 971.01 ± 0.12 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238872.cif |
| 244438 | 2019-11-28 | cif/ Adding structures of 7238872, 7238873 via cif-deposit CGI script. |
7238872.cif |
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Users of the data should acknowledge the original authors of the
structural data.