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Information card for entry 7152758
Preview
| Coordinates | 7152758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H48 Cl2 N2 O16 |
|---|---|
| Calculated formula | C43 H48 Cl2 N2 O16 |
| SMILES | N1(C(=O)C(=C2\C(=O)N(c3c2cc(cc3)C)[C@H]2O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C)\c2cc(ccc12)C)[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C.C(Cl)Cl |
| Title of publication | Synthesis of N,N'-diglycosylated isoindigos. |
| Authors of publication | Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 886 - 895 |
| a | 16.6672 ± 0.0007 Å |
| b | 33.1447 ± 0.0012 Å |
| c | 8.1871 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4522.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0821 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152758.cif |
| 180313 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/27. |
7152758.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152758.cif |
| 73756 | 2013-02-21 | cif/ Adding structures of 7152758 via cif-deposit CGI script. |
7152758.cif |
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Users of the data should acknowledge the original authors of the
structural data.