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Information card for entry 7153818
Preview
| Coordinates | 7153818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 N2 O |
|---|---|
| Calculated formula | C16 H12 N2 O |
| SMILES | C1(=O)c2ccccc2c2c3c1cccc3nn2CC |
| Title of publication | Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK). |
| Authors of publication | Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 26 |
| Pages of publication | 4656 - 4662 |
| a | 4.0054 ± 0.0004 Å |
| b | 15.3131 ± 0.0018 Å |
| c | 9.7743 ± 0.0008 Å |
| α | 90° |
| β | 95.953 ± 0.01° |
| γ | 90° |
| Cell volume | 596.27 ± 0.1 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0965 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180324 (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 7/15/38. |
7153818.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7153818.cif |
| 119503 | 2014-07-07 | cif/ Updating files of 7153814, 7153815, 7153816, 7153817, 7153818, 7153819 Original log message: Adding full bibliography for 7153814--7153819.cif. |
7153818.cif |
| 112916 | 2014-05-06 | cif/ Adding structures of 7153814, 7153815, 7153816, 7153817, 7153818, 7153819 via cif-deposit CGI script. |
7153818.cif |
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Users of the data should acknowledge the original authors of the
structural data.