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Information card for entry 2240639
Preview
| Coordinates | 2240639.cif |
|---|---|
| Structure factors | 2240639.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>-chloroacetyl-α-<i>L</i>-iodopyranoside |
|---|---|
| Formula | C59 H56 Cl N3 O16 |
| Calculated formula | C59 H56 Cl N3 O16 |
| 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 | 14.8343 ± 0.0011 Å |
| b | 8.4771 ± 0.0006 Å |
| c | 21.8112 ± 0.0017 Å |
| α | 90° |
| β | 91.78 ± 0.007° |
| γ | 90° |
| Cell volume | 2741.5 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1479 |
| Residual factor for significantly intense reflections | 0.088 |
| Weighted residual factors for significantly intense reflections | 0.2135 |
| Weighted residual factors for all reflections included in the refinement | 0.28 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 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 |
2240639.cif 2240639.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. |
2240639.cif 2240639.hkl |
| 136431 | 2015-05-13 | cif/ hkl/ Adding structures of 2240639, 2240640, 2240641 via cif-deposit CGI script. |
2240639.cif 2240639.hkl |
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Users of the data should acknowledge the original authors of the
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