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Information card for entry 7224377
Preview
| Coordinates | 7224377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H Br N O |
|---|---|
| Calculated formula | C4 H2.5 Br0.25 N0.25 O0.25 |
| SMILES | Brc1c(/C=C(C(=O)c2ccccc2)\C#N)cccc1 |
| Title of publication | Copper-Catalyzed Synthesis of Quinoline Derivatives via Tandem Knoevenagel Condensation, Amination and Cyclization |
| Authors of publication | Dhiman, Shiv; Saini, Hitesh K.; Nandwana, Nitesh k; Kumar, Dalip; Kumar, Anil |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.9523 ± 0.0011 Å |
| b | 10.8955 ± 0.0015 Å |
| c | 13.2918 ± 0.0018 Å |
| α | 83.854 ± 0.01° |
| β | 89.882 ± 0.009° |
| γ | 89.928 ± 0.009° |
| Cell volume | 1289 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3393 |
| Residual factor for significantly intense reflections | 0.1522 |
| Weighted residual factors for significantly intense reflections | 0.2666 |
| Weighted residual factors for all reflections included in the refinement | 0.3295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.36 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176858 (current) | 2016-02-24 | cif/ Adding structures of 7224377 via cif-deposit CGI script. |
7224377.cif |
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