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Information card for entry 8105548
Preview
| Coordinates | 8105548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N0 O3 S |
|---|---|
| Calculated formula | C18 H18 O3 S |
| Title of publication | Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S |
| Authors of publication | Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 79 - 80 |
| a | 14.463 ± 0.003 Å |
| b | 9.78 ± 0.005 Å |
| c | 10.848 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1534.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276316 (current) | 2022-06-28 | cif/ Adding structures of 8105548 via cif-deposit CGI script. |
8105548.cif |
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Users of the data should acknowledge the original authors of the
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