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Information card for entry 2233464
Preview
| Coordinates | 2233464.cif |
|---|---|
| Structure factors | 2233464.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | Methyl 3-<i>O</i>-α-L-fucopyranosyl α-D-galactopyranoside |
|---|---|
| Formula | C13 H24 O10 |
| Calculated formula | C13 H24 O10 |
| SMILES | [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@@H]1[C@H]([C@@H](OC)O[C@@H]([C@@H]1O)CO)O |
| Title of publication | Methyl 3-<i>O</i>-α-<small>L</small>-fucopyranosyl α-<small>D</small>-galactopyranoside: a synchrotron study |
| Authors of publication | Eriksson, Lars; Widmalm, Göran |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o528 |
| a | 4.78478 ± 0.00011 Å |
| b | 15.7859 ± 0.0005 Å |
| c | 19.4401 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1468.35 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.907 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233464.cif 2233464.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233464.cif 2233464.hkl |
| 181256 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/34. |
2233464.cif 2233464.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233464.cif 2233464.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233464.cif 2233464.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233464.cif 2233464.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233464.cif 2233464.hkl |
| 38260 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233464 via cif-deposit CGI script. |
2233464.cif |
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Users of the data should acknowledge the original authors of the
structural data.