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Information card for entry 4131304
Preview
| Coordinates | 4131304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 O7 |
|---|---|
| Calculated formula | C17 H20 O7 |
| SMILES | O1[C@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C1)c1ccccc1 |
| Title of publication | Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals. |
| Authors of publication | Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 31 |
| Pages of publication | 10693 - 10701 |
| a | 11.833 ± 0.0015 Å |
| b | 11.833 ± 0.0015 Å |
| c | 24.665 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3453.6 ± 0.8 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241537 (current) | 2019-11-25 | cif/ Adding structures of 4131304 via cif-deposit CGI script. |
4131304.cif |
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Users of the data should acknowledge the original authors of the
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