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Information card for entry 7242106
Preview
| Coordinates | 7242106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H16 N2 O3 |
|---|---|
| Calculated formula | C23 H16 N2 O3 |
| SMILES | n1c(cc(cc1Oc1ccccc1)c1cc(N(=O)=O)ccc1)c1ccccc1 |
| Title of publication | An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry |
| Authors of publication | Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 3477 - 3483 |
| a | 22.076 ± 0.002 Å |
| b | 10.1079 ± 0.0008 Å |
| c | 16.921 ± 0.002 Å |
| α | 90° |
| β | 107.25 ± 0.011° |
| γ | 90° |
| Cell volume | 3606 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242106.cif |
| 261018 | 2021-01-17 | cif/ Adding structures of 7242106, 7242107 via cif-deposit CGI script. |
7242106.cif |
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Users of the data should acknowledge the original authors of the
structural data.