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Information card for entry 7238924
Preview
| Coordinates | 7238924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 Cl O2 |
|---|---|
| Calculated formula | C15 H9 Cl O2 |
| Title of publication | Synthesis of coumarins via PIDA/I2-mediated oxidative cyclization of substituted phenylacrylic acids |
| Authors of publication | Li, Jinming; Chen, Huiyu; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 13 |
| Pages of publication | 4311 |
| a | 9.6658 ± 0.0012 Å |
| b | 10.3292 ± 0.0014 Å |
| c | 18.5201 ± 0.0018 Å |
| α | 85.614 ± 0.012° |
| β | 86.144 ± 0.014° |
| γ | 81.723 ± 0.01° |
| Cell volume | 1821.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1134 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.848 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244464 (current) | 2019-11-28 | cif/ Adding structures of 7238924 via cif-deposit CGI script. |
7238924.cif |
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Users of the data should acknowledge the original authors of the
structural data.