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Information card for entry 7224133
Preview
| Coordinates | 7224133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 N O3 |
|---|---|
| Calculated formula | C16 H9 N O3 |
| SMILES | c1(ccccc1)c1nc2c(c3c(oc2=O)cccc3)o1 |
| Title of publication | Synthesis of fused oxazole containing coumarin derivatives via oxidative cross coupling reaction using a combination of CuCl2 and TBHP |
| Authors of publication | Belal, Md; Khan, Abu Taleb |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.1596 ± 0.0004 Å |
| b | 13.3572 ± 0.0007 Å |
| c | 13.0999 ± 0.0006 Å |
| α | 90° |
| β | 98.358 ± 0.004° |
| γ | 90° |
| Cell volume | 1239.47 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175826 (current) | 2016-02-04 | cif/ Adding structures of 7224133 via cif-deposit CGI script. |
7224133.cif |
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Users of the data should acknowledge the original authors of the
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