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Information card for entry 8105643
Preview
| Coordinates | 8105643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H27 N5 O3 S3 |
|---|---|
| Calculated formula | C17 H27 N5 O3 S3 |
| Title of publication | The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6 |
| Authors of publication | Zuo, Zhenyu; Yan, Hao; Song, Xiao; Song, XiaoMei; Guo, Dongyan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 2 |
| Pages of publication | 351 - 353 |
| a | 11.8434 ± 0.0005 Å |
| b | 11.2298 ± 0.0006 Å |
| c | 17.0706 ± 0.0008 Å |
| α | 90° |
| β | 94.661 ± 0.002° |
| γ | 90° |
| Cell volume | 2262.86 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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