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Information card for entry 1567441
Preview
| Coordinates | 1567441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H31 N3 O2 S |
|---|---|
| Calculated formula | C20 H31 N3 O2 S |
| Title of publication | The "<i>η</i>-sweet-spot" (<i>η</i><sub>max</sub>) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mixing (RAM). |
| Authors of publication | Gonnet, Lori; Borchers, Tristan H.; Lennox, Cameron B.; Vainauskas, Jogirdas; Teoh, Yong; Titi, Hatem M.; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav |
| Journal of publication | Faraday discussions |
| Year of publication | 2023 |
| Journal volume | 241 |
| Journal issue | 0 |
| Pages of publication | 128 - 149 |
| a | 23.28 ± 0.0004 Å |
| b | 23.28 ± 0.0004 Å |
| c | 19.9119 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9345.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.0783 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283358 (current) | 2023-05-05 | cif/ Updating files of 1567441 Original log message: Adding full bibliography for 1567441.cif. |
1567441.cif |
| 277160 | 2022-08-09 | cif/ Adding structures of 1567441 via cif-deposit CGI script. |
1567441.cif |
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Users of the data should acknowledge the original authors of the
structural data.