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Information card for entry 7231960
Preview
| Coordinates | 7231960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N3 O3 S |
|---|---|
| Calculated formula | C22 H17 N3 O3 S |
| Title of publication | Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides |
| Authors of publication | Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 71 |
| Pages of publication | 40798 |
| a | 7.6209 ± 0.0015 Å |
| b | 12.073 ± 0.002 Å |
| c | 21.125 ± 0.004 Å |
| α | 90° |
| β | 96.86 ± 0.03° |
| γ | 90° |
| Cell volume | 1929.7 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0846 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212432 (current) | 2018-12-07 | cif/ Adding structures of 7231960, 7231961 via cif-deposit CGI script. |
7231960.cif |
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Users of the data should acknowledge the original authors of the
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