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Information card for entry 2240641
Preview
| Coordinates | 2240641.cif |
|---|---|
| Structure factors | 2240641.hkl |
| Original IUCr paper | HTML |
| Common name | Benzoic acid 4-benzyloxy-6-(2-methoxyacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-\ 3-yl ester; acetic acid 5-azido-3,4-bis-benzyloxy-6-methoxy -tetrahydro-pyran-2-ylmethyl ester 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy- α-<i>D</i>-glucopyranosyl]-2-<i>O </i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D </i>-glucopyranoside |
|---|---|
| Chemical name | 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D</i>-glucopyranoside |
| Formula | C52 H55 N3 O15 |
| Calculated formula | C52 H55 N3 O15 |
| Title of publication | Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides |
| Authors of publication | Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 582 - 587 |
| a | 38.3346 ± 0.0013 Å |
| b | 8.0744 ± 0.0003 Å |
| c | 16.1659 ± 0.0006 Å |
| α | 90° |
| β | 91.222 ± 0.002° |
| γ | 90° |
| Cell volume | 5002.7 ± 0.3 Å3 |
| Cell temperature | 118 ± 2 K |
| Ambient diffraction temperature | 118 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240641.cif 2240641.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240641.cif 2240641.hkl |
| 136431 | 2015-05-13 | cif/ hkl/ Adding structures of 2240639, 2240640, 2240641 via cif-deposit CGI script. |
2240641.cif 2240641.hkl |
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Users of the data should acknowledge the original authors of the
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