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Information card for entry 7223260
Preview
| Coordinates | 7223260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N O4 |
|---|---|
| Calculated formula | C14 H13 N O4 |
| SMILES | O(CC)C(=O)c1cc(C(=O)c2ccccc2O)c[nH]1 |
| Title of publication | Synthesis of substituted pyrroles using a silver-catalysed reaction between isocyanoacetates/benzyl isocyanides and chromones. |
| Authors of publication | Qi, Xueyu; Xiang, Haoyue; Yang, Yuhong; Yang, Chunhao |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 6.0219 ± 0.0006 Å |
| b | 10.9014 ± 0.001 Å |
| c | 19.3876 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1272.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170313 (current) | 2015-11-14 | cif/ Adding structures of 7223260 via cif-deposit CGI script. |
7223260.cif |
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