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Information card for entry 7220744
Preview
| Coordinates | 7220744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O2 |
|---|---|
| Calculated formula | C18 H16 N2 O2 |
| SMILES | O1C(=O)/C(=C/c2ccc(N(C)C)cc2)N=C1c1ccccc1 |
| Title of publication | [Et3NH][HSO4]-mediated functionalization of hippuric acid: an unprecedented approach to 4-arylidene-2-phenyl-5(4H)-oxazolones |
| Authors of publication | Parveen, Mehtab; Ahmad, Faheem; Malla, Ali Mohammed; Azaz, Shaista; Silva, Manuela Ramos; Silva, P. S. Pereira |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 12.0978 ± 0.0003 Å |
| b | 3.979 ± 0.0001 Å |
| c | 15.5788 ± 0.0004 Å |
| α | 90° |
| β | 100.055 ± 0.001° |
| γ | 90° |
| Cell volume | 738.4 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139039 (current) | 2015-06-10 | cif/ Adding structures of 7220744 via cif-deposit CGI script. |
7220744.cif |
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Users of the data should acknowledge the original authors of the
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