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Information card for entry 1556371
Preview
| Coordinates | 1556371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 Cl N4 O3 |
|---|---|
| Calculated formula | C17 H15 Cl N4 O3 |
| SMILES | c1ccc(cc1)n1c(c(c(C)n1)C=C1C(=O)N(C)C(=O)N(C)C1=O)Cl |
| Title of publication | P2O5/SiO2 as an efficient heterogeneous catalyst for the synthesis of heterocyclic alkene derivatives under thermal solvent-free conditions |
| Authors of publication | Siddiqui, Zeba N.; Khan, Tabassum |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 2032 |
| a | 7.129 ± 0.003 Å |
| b | 11.454 ± 0.005 Å |
| c | 19.387 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1583.1 ± 1.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1887 |
| Residual factor for significantly intense reflections | 0.1524 |
| Weighted residual factors for significantly intense reflections | 0.3606 |
| Weighted residual factors for all reflections included in the refinement | 0.3845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244406 (current) | 2019-11-28 | cif/ Adding structures of 1556371 via cif-deposit CGI script. |
1556371.cif |
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Users of the data should acknowledge the original authors of the
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