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Information card for entry 7226949
Preview
| Coordinates | 7226949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H6 O2 S |
|---|---|
| Calculated formula | C11 H6 O2 S |
| SMILES | s1ccc2c3c(OC(=O)c12)cccc3 |
| Title of publication | One-pot transition-metal-free cascade synthesis of thieno[2,3-c]coumarins from chromones |
| Authors of publication | Yang, Yuhong; Qi, Xueyu; Liu, Ruiling; He, Qian; Yang, Chunhao |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.1145 ± 0.0011 Å |
| b | 8.2023 ± 0.0008 Å |
| c | 18.5724 ± 0.0016 Å |
| α | 90° |
| β | 106.188 ± 0.005° |
| γ | 90° |
| Cell volume | 1772.3 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187645 (current) | 2016-10-28 | cif/ Adding structures of 7226949 via cif-deposit CGI script. |
7226949.cif |
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Users of the data should acknowledge the original authors of the
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