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Information card for entry 2019131
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| Coordinates | 2019131.cif |
|---|---|
| Structure factors | 2019131.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 4-<i>O</i>-β-<i>D</i>-xylopyranosyl β-<i>D</i>-mannopyranoside |
|---|---|
| Formula | C12 H22 O10 |
| Calculated formula | C12 H22 O10 |
| SMILES | OC[C@H]1O[C@@H](OC)[C@H]([C@H]([C@@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O |
| Title of publication | Methyl 4-<i>O</i>-β-<small>D</small>-xylopyranosyl β-<small>D</small>-mannopyranoside, a core disaccharide of an antifreeze glycolipid |
| Authors of publication | Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 1047 - 1050 |
| a | 8.9763 ± 0.0009 Å |
| b | 7.4575 ± 0.0007 Å |
| c | 11.0026 ± 0.0011 Å |
| α | 90° |
| β | 97.406 ± 0.002° |
| γ | 90° |
| Cell volume | 730.38 ± 0.12 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 | 0.0264 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019131.cif 2019131.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019131.cif 2019131.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019131.cif 2019131.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019131.cif 2019131.hkl |
| 88612 | 2013-10-02 | cif/ Adding structures of 2019131 via cif-deposit CGI script. |
2019131.cif |
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Users of the data should acknowledge the original authors of the
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