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Information card for entry 7240324
Preview
| Coordinates | 7240324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H12 F3 N O3 |
|---|---|
| Calculated formula | C19 H12 F3 N O3 |
| SMILES | C(C(F)(F)F)(c1c[nH]c2c1cccc2)(c1c(=O)oc2c(c1)cccc2)O |
| Title of publication | Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel–Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3 |
| Authors of publication | Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 24 |
| Pages of publication | 13929 - 13935 |
| a | 5.8958 ± 0.0002 Å |
| b | 15.5043 ± 0.0009 Å |
| c | 17.198 ± 0.0006 Å |
| α | 90° |
| β | 99.277 ± 0.004° |
| γ | 90° |
| Cell volume | 1551.51 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240324.cif |
| 257966 | 2020-10-06 | cif/ Updating files of 7240324, 7240325 Original log message: Adding full bibliography for 7240324--7240325.cif. |
7240324.cif |
| 250839 | 2020-04-16 | cif/ Adding structures of 7240324, 7240325 via cif-deposit CGI script. |
7240324.cif |
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Users of the data should acknowledge the original authors of the
structural data.