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Information card for entry 7151686
Preview
| Coordinates | 7151686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N2 O4 |
|---|---|
| Calculated formula | C32 H23 N2 O4 |
| Title of publication | Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor. |
| Authors of publication | Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 881 - 891 |
| a | 13.988 ± 0.0002 Å |
| b | 10.997 ± 0.0002 Å |
| c | 16.197 ± 0.0002 Å |
| α | 90° |
| β | 95.645 ± 0.001° |
| γ | 90° |
| Cell volume | 2479.44 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1729 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180302 (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 7/15/16. |
7151686.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151686.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151686.cif |
| 14987 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151684, 7151685, 7151686 via cif-deposit CGI script. |
7151686.cif |
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Users of the data should acknowledge the original authors of the
structural data.