Information card for entry 3000604
| Formula |
C7 H6 O4 |
| Calculated formula |
C7 H6 O4 |
| Title of publication |
Beyond serendipity: uncovering novel ratiometric urea-24DHBA cocrystals through mechanochemistry and MicroED |
| Authors of publication |
Bania, Ankur; Gogoi, Diptajyoti; Kalita, Nabadeep; Nakane, Takanori; Kawamoto, Akihiro; Althubeiti, Khaled; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit |
| Journal of publication |
Chemical Communications |
| Year of publication |
2025 |
| Journal volume |
61 |
| Pages of publication |
16198 - 16201 |
| a |
3.674 ± 0.0006 Å |
| b |
22.23 ± 0.002 Å |
| c |
8.0598 ± 0.0008 Å |
| α |
90° |
| β |
99.801 ± 0.015° |
| γ |
90° |
| Cell volume |
648.66 ± 0.14 Å3 |
| Cell temperature |
79 K |
| Ambient diffraction temperature |
79 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.2006 |
| Weighted residual factors for significantly intense reflections |
0.4061 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.167 |
| Diffraction radiation probe |
electron |
| Diffraction radiation wavelength |
0.02508 Å |
| Diffraction radiation type |
electron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/3000604.html
