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Information card for entry 7064411
Preview
| Coordinates | 7064411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BRUKER D8 QUEST |
|---|---|
| Formula | C15 H10 O S2 |
| Calculated formula | C15 H10 O S2 |
| Title of publication | Application of various ylides in the [4+1] cycloaddition of enaminothiones and N-thioacylformamidines for constructing substituted thiophenes and thiazoles |
| Authors of publication | Sun, Yuhang; Wang, Junjie; Wen, Jiangwei; Qu, Xiaowen; Yang, Daoshan; Yan, Kelu |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 14.2801 ± 0.0013 Å |
| b | 6.3292 ± 0.0006 Å |
| c | 27.955 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2526.6 ± 0.4 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1461 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 305977 (current) | 2026-05-16 | cif/ Adding structures of 7064411 via cif-deposit CGI script. |
7064411.cif |
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