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Information card for entry 4038613
Preview
| Coordinates | 4038613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Cl2 F3 N O3 |
|---|---|
| Calculated formula | C16 H14 Cl2 F3 N O3 |
| 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 | 10.5277 ± 0.0009 Å |
| b | 16.5073 ± 0.0015 Å |
| c | 19.0274 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3306.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.02 K |
| Number of distinct elements | 6 |
| 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
4038613.cif |
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