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Information card for entry 1543163
Preview
| Coordinates | 1543163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H10 F N O3 S |
|---|---|
| Calculated formula | C16 H10 F N O3 S |
| SMILES | S1(=O)(=O)N(C(=O)c2c1c1ccccc1c1c2cccc1F)C |
| Title of publication | UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides. |
| Authors of publication | Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2280 - 2283 |
| a | 6.8436 ± 0.0005 Å |
| b | 10.3886 ± 0.0006 Å |
| c | 9.9058 ± 0.0006 Å |
| α | 90° |
| β | 104.893 ± 0.007° |
| γ | 90° |
| Cell volume | 680.6 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543163.cif |
| 184995 | 2016-08-05 | cif/ Updating files of 1543162, 1543163 Original log message: Adding full bibliography for 1543162--1543163.cif. |
1543163.cif |
| 182286 | 2016-04-28 | cif/ Adding structures of 1543163 via cif-deposit CGI script. |
1543163.cif |
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Users of the data should acknowledge the original authors of the
structural data.