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Information card for entry 2240640
Preview
| Coordinates | 2240640.cif |
|---|---|
| Structure factors | 2240640.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(9-fluorenylmethyloxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyacetal-α-<i>L</i>-iodopyranoside |
|---|---|
| Formula | C60 H59 N3 O17 |
| Calculated formula | C60 H59 N3 O17 |
| 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 | 14.8595 ± 0.0017 Å |
| b | 8.3873 ± 0.0006 Å |
| c | 22.0138 ± 0.0018 Å |
| α | 90° |
| β | 90.939 ± 0.01° |
| γ | 90° |
| Cell volume | 2743.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1218 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.1802 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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 |
2240640.cif 2240640.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. |
2240640.cif 2240640.hkl |
| 136431 | 2015-05-13 | cif/ hkl/ Adding structures of 2240639, 2240640, 2240641 via cif-deposit CGI script. |
2240640.cif 2240640.hkl |
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