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Information card for entry 2236397
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| Coordinates | 2236397.cif |
|---|---|
| Structure factors | 2236397.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 3-<i>O</i>-α-<i>L</i>-fucopyranosyl β-<i>D</i>-glucopyranoside tetrahydrate |
|---|---|
| Formula | C13 H32 O14 |
| Calculated formula | C13 H32 O14 |
| Title of publication | Methyl 3-<i>O</i>-α-<small>L</small>-fucopyranosyl β-<small>D</small>-glucopyranoside tetrahydrate |
| Authors of publication | Eriksson, Lars; Widmalm, Göran |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o3180 - o3181 |
| a | 9.615 ± 0.0002 Å |
| b | 7.1362 ± 0.0001 Å |
| c | 13.9716 ± 0.0002 Å |
| α | 90° |
| β | 100.118 ± 0.0018° |
| γ | 90° |
| Cell volume | 943.75 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0299 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181285 (current) | 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 2/23/63. |
2236397.cif 2236397.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. |
2236397.cif 2236397.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236397.cif 2236397.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. | 2236397.cif 2236397.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236397.cif 2236397.hkl |
| 69967 | 2012-12-21 | cif/ Adding structures of 2236397 via cif-deposit CGI script. |
2236397.cif |
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Users of the data should acknowledge the original authors of the
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