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Information card for entry 4518943
Preview
| Coordinates | 4518943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N O5 S |
|---|---|
| Calculated formula | C13 H15 N O5 S |
| Title of publication | Photoredox-Catalyzed Stereoselective Synthesis of C-Nucleoside Analogues from Glycosyl Bromides and Heteroarenes |
| Authors of publication | Xia, Liwen; Fan, Wenjing; Yuan, Xiang-Ai; Yu, Shouyun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 9397 - 9406 |
| a | 6.653 ± 0.0004 Å |
| b | 6.9677 ± 0.0004 Å |
| c | 27.9699 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1296.58 ± 0.12 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267917 (current) | 2021-08-03 | cif/ Adding structures of 4518943 via cif-deposit CGI script. |
4518943.cif |
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Users of the data should acknowledge the original authors of the
structural data.