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Information card for entry 2021737
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| Coordinates | 2021737.cif |
|---|---|
| Structure factors | 2021737.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2,3,4,6-Penta-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose |
|---|---|
| Formula | C16 H22 O11 |
| Calculated formula | C16 H22 O11 |
| 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 | 8.8434 ± 0.0004 Å |
| b | 15.1918 ± 0.0006 Å |
| c | 43.0639 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5785.5 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 3 |
| 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217307 (current) | 2019-07-30 | cif/ hkl/ Adding structures of 2021737, 2021738 via cif-deposit CGI script. |
2021737.cif 2021737.hkl |
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Users of the data should acknowledge the original authors of the
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