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Information card for entry 8105920
Preview
| Coordinates | 8105920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H33 F6 N3 S |
|---|---|
| Calculated formula | C30 H33 F6 N3 S |
| Title of publication | Crystal structure of 3,5-bis(trifluoromethyl)benzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C30H33F6N3S |
| Authors of publication | Al-Wahaibi, Lamya H.; Al-Shaalan, Nora H.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 1009 - 1012 |
| a | 9.3012 ± 0.0005 Å |
| b | 10.2734 ± 0.0005 Å |
| c | 15.185 ± 0.0008 Å |
| α | 81.982 ± 0.002° |
| β | 78.696 ± 0.002° |
| γ | 83.882 ± 0.002° |
| Cell volume | 1404.25 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1143 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278687 (current) | 2022-10-21 | cif/ Adding structures of 8105920 via cif-deposit CGI script. |
8105920.cif |
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Users of the data should acknowledge the original authors of the
structural data.