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Information card for entry 2021738
Preview
| Coordinates | 2021738.cif |
|---|---|
| Structure factors | 2021738.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1→2)-\ 3,4,6-tri-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1→3)-\ 1,2,4,6-tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose |
|---|---|
| Formula | C40 H54 O27 |
| Calculated formula | C40 H54 O27 |
| Title of publication | Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains |
| Authors of publication | Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| Pages of publication | 1166 - 1174 |
| a | 9.1043 ± 0.0002 Å |
| b | 21.477 ± 0.0005 Å |
| c | 13.8106 ± 0.0003 Å |
| α | 90° |
| β | 91.8362 ± 0.0008° |
| γ | 90° |
| Cell volume | 2699.04 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021738.cif 2021738.hkl |
| 217307 | 2019-07-30 | cif/ hkl/ Adding structures of 2021737, 2021738 via cif-deposit CGI script. |
2021738.cif 2021738.hkl |
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Users of the data should acknowledge the original authors of the
structural data.