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Information card for entry 4025446
Preview
| Coordinates | 4025446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl_azide |
|---|---|
| Chemical name | 2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl azide |
| Formula | C14 H19 N3 O9 |
| Calculated formula | C14 H19 N3 O9 |
| SMILES | O([C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](O[C@H]1N=N#N)COC(=O)C)C(=O)C |
| Title of publication | Ex Post Glycoconjugation of Phthalocyanines |
| Authors of publication | Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 3859 - 3862 |
| a | 8.9267 ± 0.0013 Å |
| b | 10.1168 ± 0.0014 Å |
| c | 19.871 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1794.5 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287905 (current) | 2023-11-30 | cif/ Removed the PUBLCIF_JMOLSCRIPT category loop from multiple entries. All data values in these loops were declared as unknown ('?'). |
4025446.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4025446.cif |
| 178433 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/54. |
4025446.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025446.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025446.cif |
| 11237 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025446 via cif-deposit CGI script. |
4025446.cif |
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Users of the data should acknowledge the original authors of the
structural data.