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Information card for entry 1534107
Preview
| Coordinates | 1534107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 F3 O2 S |
|---|---|
| Calculated formula | C20 H13 F3 O2 S |
| SMILES | S(CC1(OC(=O)c2c1cc1c(c2)cccc1)c1ccccc1)C(F)(F)F |
| Title of publication | Lewis Acid Mediated Trifluoromethylthio Lactonization/Lactamization. |
| Authors of publication | Xu, Chunfa; Shen, Qilong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4561 - 4563 |
| a | 7.4471 ± 0.0009 Å |
| b | 9.4405 ± 0.0011 Å |
| c | 12.781 ± 0.0016 Å |
| α | 79.059 ± 0.003° |
| β | 79.842 ± 0.003° |
| γ | 75.136 ± 0.003° |
| Cell volume | 844.95 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0926 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160459 (current) | 2015-10-06 | cif/ Adding structures of 1534107 via cif-deposit CGI script. |
1534107.cif |
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