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Information card for entry 7238878
Preview
| Coordinates | 7238878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 Cl2 N O S |
|---|---|
| Calculated formula | C22 H17 Cl2 N O S |
| Title of publication | Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions |
| Authors of publication | Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 14 |
| Pages of publication | 4643 |
| a | 10.1879 ± 0.001 Å |
| b | 10.7179 ± 0.001 Å |
| c | 11.053 ± 0.0011 Å |
| α | 95.363 ± 0.001° |
| β | 109.891 ± 0.001° |
| γ | 115.952 ± 0.001° |
| Cell volume | 977.64 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244440 (current) | 2019-11-28 | cif/ Adding structures of 7238877, 7238878 via cif-deposit CGI script. |
7238878.cif |
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Users of the data should acknowledge the original authors of the
structural data.