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Information card for entry 1545465
Preview
| Coordinates | 1545465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 N O4 S |
|---|---|
| Calculated formula | C19 H15 N O4 S |
| SMILES | S(=O)(=O)(Oc1cccc2OCc3c(c12)cccc3C)c1ncccc1 |
| Title of publication | Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds. |
| Authors of publication | Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 4 |
| Pages of publication | 798 - 801 |
| a | 10.786 ± 0.002 Å |
| b | 10.726 ± 0.002 Å |
| c | 14.291 ± 0.003 Å |
| α | 90° |
| β | 98.556 ± 0.003° |
| γ | 90° |
| Cell volume | 1634.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193384 (current) | 2017-03-04 | cif/ Adding structures of 1545465 via cif-deposit CGI script. |
1545465.cif |
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Users of the data should acknowledge the original authors of the
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