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Information card for entry 7160734
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| Coordinates | 7160734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H192 N18 O12 S15 |
|---|---|
| Calculated formula | C96 H192 N18 O12 S15 |
| Title of publication | Thiosquaramides: Dual-Function Ionophores for Zn²⁺ and Cl⁻ with Ion Dependent Anti-Microbial Activity |
| Authors of publication | Elmes, Robert B. P.; Luo, Xuanyang; Brennan, Luke Edward; Hawes, Chris Samuel; Kraemer, Tobias; Farragher, John P.; Robinson, Shane; Kavanagh, Kevin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 17.4462 ± 0.0005 Å |
| b | 17.4462 ± 0.0005 Å |
| c | 40.0341 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10552.7 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1136 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302203 (current) | 2025-09-20 | cif/ Adding structures of 7160733, 7160734, 7160735 via cif-deposit CGI script. |
7160734.cif |
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Users of the data should acknowledge the original authors of the
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