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Information card for entry 2018358
Preview
| Coordinates | 2018358.cif |
|---|---|
| Structure factors | 2018358.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside |
|---|---|
| Formula | C12 H22 O10 |
| Calculated formula | C12 H22 O10 |
| SMILES | CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O |
| Title of publication | Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside |
| Authors of publication | Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o7 - o11 |
| a | 13.7878 ± 0.0014 Å |
| b | 22.892 ± 0.002 Å |
| c | 4.6367 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1463.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 1.2399 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (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 2/01/83. |
2018358.cif 2018358.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. |
2018358.cif 2018358.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018358.cif 2018358.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. | 2018358.cif 2018358.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018358.cif 2018358.hkl |
| 32370 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018358 via cif-deposit CGI script. |
2018358.cif |
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Users of the data should acknowledge the original authors of the
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