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Information card for entry 7238984
Preview
| Coordinates | 7238984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 F3 N O6 S |
|---|---|
| Calculated formula | C14 H24 F3 N O6 S |
| Title of publication | New asymmetric approach to β-trifluoromethyl isoserines |
| Authors of publication | Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 18 |
| Pages of publication | 6479 |
| a | 25.049 ± 0.002 Å |
| b | 8.4762 ± 0.0007 Å |
| c | 8.8991 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1889.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244494 (current) | 2019-11-28 | cif/ Adding structures of 7238983, 7238984 via cif-deposit CGI script. |
7238984.cif |
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Users of the data should acknowledge the original authors of the
structural data.