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Information card for entry 7150572
Preview
Coordinates | 7150572.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AD11 |
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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 |
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