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Information card for entry 4038610
Preview
| Coordinates | 4038610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 F3 N O4 |
|---|---|
| Calculated formula | C15 H16 F3 N O4 |
| Title of publication | cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions |
| Authors of publication | Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 8.113 ± 0.005 Å |
| b | 9.611 ± 0.005 Å |
| c | 18.867 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1471.1 ± 1.2 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 | 0.0225 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254604 (current) | 2020-07-28 | cif/ Adding structures of 4038608, 4038609, 4038610, 4038611, 4038612, 4038613 via cif-deposit CGI script. |
4038610.cif |
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Users of the data should acknowledge the original authors of the
structural data.