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Information card for entry 7058153
Preview
| Coordinates | 7058153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H21 N5 |
|---|---|
| Calculated formula | C21 H21 N5 |
| Title of publication | Four-component, three-step cascade reaction: an effective synthesis of indazole-fused triazolo[5,1-c]quinoxalines |
| Authors of publication | Shiva Kumar, K.; Naikawadi, Praveen Kumar; Rajesham, Bandari; Rambabu, D. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 11 |
| Pages of publication | 4333 |
| a | 12.2671 ± 0.0005 Å |
| b | 18.157 ± 0.0008 Å |
| c | 15.9123 ± 0.0007 Å |
| α | 90° |
| β | 96.146 ± 0.002° |
| γ | 90° |
| Cell volume | 3523.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058153.cif |
| 224978 | 2019-11-08 | cif/ Updating files of 7058153 Original log message: Adding full bibliography for 7058153.cif. |
7058153.cif |
| 213552 | 2019-02-08 | cif/ Adding structures of 7058153 via cif-deposit CGI script. |
7058153.cif |
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Users of the data should acknowledge the original authors of the
structural data.