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Information card for entry 7239118
Preview
| Coordinates | 7239118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O2 S |
|---|---|
| Calculated formula | C20 H18 N2 O2 S |
| Title of publication | Synthesis, characterization, antimicrobial, anticancer, and antituberculosis activity of some new pyrazole, isoxazole, pyrimidine and benzodiazepine derivatives containing thiochromeno and benzothiepino moieties |
| Authors of publication | Palanisamy, Pandaram; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Kumaresan, Sudalaiandi |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 42 |
| Pages of publication | 19300 |
| a | 8.337 ± 0.005 Å |
| b | 8.48 ± 0.005 Å |
| c | 12.878 ± 0.005 Å |
| α | 99.234 ± 0.005° |
| β | 106.409 ± 0.005° |
| γ | 93.053 ± 0.005° |
| Cell volume | 857.4 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244554 (current) | 2019-11-28 | cif/ Adding structures of 7239118, 7239119 via cif-deposit CGI script. |
7239118.cif |
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Users of the data should acknowledge the original authors of the
structural data.