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Information card for entry 7150572
Preview
| Coordinates | 7150572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AD11 |
|---|---|
| Formula | C14 H18 N2 O4 |
| Calculated formula | C14 H18 N2 O4 |
| SMILES | C([C@H]1[C@@H]2CC=CC[C@@H]2[C@@H](N2C(=O)NC(=O)C(=C2)C)O1)O.C([C@@H]1[C@H]2CC=CC[C@H]2[C@H](N2C(=O)NC(=O)C(=C2)C)O1)O |
| Title of publication | Synthesis and anti-HIV activity of conformationally restricted bicyclic hexahydroisobenzofuran nucleoside analogs |
| Authors of publication | Díaz-Rodríguez, Alba; Sanghvi, Yogesh S.; Fernández, Susana; Schinazi, Raymond F.; Theodorakis, Emmanuel A.; Ferrero, Miguel; Gotor, Vicente |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | 1415 - 1423 |
| a | 22.8916 ± 0.0012 Å |
| b | 22.8916 ± 0.0012 Å |
| c | 5.224 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2738 ± 2 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.346 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180291 (current) | 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 7/15/05. |
7150572.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150572.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150572.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150572.cif |
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