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Information card for entry 1567441
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Coordinates | 1567441.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H31 N3 O2 S |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567441.html
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