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Information card for entry 7155289
Preview
| Coordinates | 7155289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Cl N3 O2 S |
|---|---|
| Calculated formula | C18 H24 Cl N3 O2 S |
| SMILES | Clc1cc(NC(=O)NCCSCc2oc(cc2)CN(C)C)ccc1C |
| Title of publication | Synthesis of HIV-1 capsid protein assembly inhibitor (CAP-1) and its analogues based on a biomass approach |
| Authors of publication | Romashov, Leonid V.; Ananikov, Valentine P. |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2016 |
| a | 38.822 ± 0.008 Å |
| b | 4.592 ± 0.0009 Å |
| c | 10.705 ± 0.002 Å |
| α | 90° |
| β | 99.08 ± 0.03° |
| γ | 90° |
| Cell volume | 1884.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.9699 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186874 (current) | 2016-10-01 | cif/ Adding structures of 7155289 via cif-deposit CGI script. |
7155289.cif |
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Users of the data should acknowledge the original authors of the
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