Information card for entry 7245423
| Formula |
C15 H18 N18 |
| Calculated formula |
C15 H18 N18 |
| Title of publication |
Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism |
| Authors of publication |
Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
10.7265 ± 0.0005 Å |
| b |
11.3448 ± 0.0002 Å |
| c |
11.6327 ± 0.0004 Å |
| α |
109.619 ± 0.003° |
| β |
108.625 ± 0.003° |
| γ |
107.919 ± 0.003° |
| Cell volume |
1118.77 ± 0.09 Å3 |
| Cell temperature |
169.99 ± 0.1 K |
| Ambient diffraction temperature |
169.99 ± 0.1 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0838 |
| Residual factor for significantly intense reflections |
0.0804 |
| Weighted residual factors for significantly intense reflections |
0.2401 |
| Weighted residual factors for all reflections included in the refinement |
0.2466 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.095 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 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/7245423.html
