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Information card for entry 4503138
Preview
| Coordinates | 4503138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | alpha/beta lactose |
|---|---|
| Formula | C12 H22 O11 |
| Calculated formula | C12 H22 O11 |
| SMILES | [C@@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O1)CO.[C@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O1)CO |
| Title of publication | Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose |
| Authors of publication | Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 3927 |
| a | 5.03 ± 0.003 Å |
| b | 7.593 ± 0.005 Å |
| c | 19.374 ± 0.012 Å |
| α | 81.026 ± 0.01° |
| β | 85.044 ± 0.009° |
| γ | 74.247 ± 0.009° |
| Cell volume | 702.7 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.2036 |
| Weighted residual factors for all reflections included in the refinement | 0.2067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.6911 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503138.cif |
| 179562 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31. |
4503138.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503138.cif |
| 41373 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503137, 4503138 via cif-deposit CGI script. |
4503138.cif |
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Users of the data should acknowledge the original authors of the
structural data.