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Information card for entry 4038469
Preview
| Coordinates | 4038469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O5 S2 |
|---|---|
| Calculated formula | C16 H15 N O5 S2 |
| Title of publication | Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones. |
| Authors of publication | Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.5122 ± 0.0015 Å |
| b | 9.4305 ± 0.0015 Å |
| c | 20.019 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1607 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253043 (current) | 2020-06-10 | cif/ Adding structures of 4038469 via cif-deposit CGI script. |
4038469.cif |
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Users of the data should acknowledge the original authors of the
structural data.