Information card for entry 3000605
| Formula |
C9 H14 N4 O6 |
| Calculated formula |
C9 H14 N4 O6 |
| 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 |
7.2558 ± 0.001 Å |
| b |
8.8651 ± 0.0016 Å |
| c |
10.86 ± 0.002 Å |
| α |
74.412 ± 0.015° |
| β |
75.956 ± 0.014° |
| γ |
71.464 ± 0.014° |
| Cell volume |
628.4 ± 0.2 Å3 |
| Cell temperature |
79 K |
| Ambient diffraction temperature |
79 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1927 |
| Weighted residual factors for significantly intense reflections |
0.4008 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.141 |
| 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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https://www.crystallography.net/3000605.html
