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Information card for entry 4032778
Preview
| Coordinates | 4032778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 F3 N O4 |
|---|---|
| Calculated formula | C26 H24 F3 N O4 |
| SMILES | FC(F)(F)[C@@]1(O)N(C(=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)Cc1ccccc1 |
| Title of publication | Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid. |
| Authors of publication | Ben Jamaa, Abdelkhalek; Grellepois, Fabienne |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 19 |
| Pages of publication | 10360 - 10375 |
| a | 10.2367 ± 0.0004 Å |
| b | 10.4404 ± 0.0004 Å |
| c | 21.1129 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2256.45 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0259 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4032778.cif |
| 202688 | 2017-11-07 | cif/ Updating files of 4032778, 4032779, 4032780 Original log message: Adding full bibliography for 4032778--4032780.cif. |
4032778.cif |
| 200406 | 2017-09-10 | cif/ Adding structures of 4032778, 4032779, 4032780 via cif-deposit CGI script. |
4032778.cif |
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Users of the data should acknowledge the original authors of the
structural data.