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Information card for entry 7251059
Preview
| Coordinates | 7251059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 F2 N3 S |
|---|---|
| Calculated formula | C18 H21 F2 N3 S |
| Title of publication | Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals |
| Authors of publication | Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 6.3669 ± 0.0001 Å |
| b | 11.814 ± 0.0001 Å |
| c | 11.8768 ± 0.0001 Å |
| α | 78.145 ± 0.001° |
| β | 84.27 ± 0.001° |
| γ | 79.081 ± 0.001° |
| Cell volume | 856.745 ± 0.017 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0304 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302955 (current) | 2025-10-18 | cif/ Adding structures of 7251058, 7251059, 7251060, 7251061 via cif-deposit CGI script. |
7251059.cif |
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Users of the data should acknowledge the original authors of the
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