Information card for entry 7245421
Formula |
C5 H6 N6 |
Calculated formula |
C5 H6 N6 |
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 |
18.8845 ± 0.0007 Å |
b |
18.8845 ± 0.0007 Å |
c |
10.7786 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
3328.9 ± 0.2 Å3 |
Cell temperature |
169.99 ± 0.1 K |
Ambient diffraction temperature |
169.99 ± 0.1 K |
Number of distinct elements |
3 |
Space group number |
148 |
Hermann-Mauguin space group symbol |
R -3 :H |
Hall space group symbol |
-R 3 |
Residual factor for all reflections |
0.0592 |
Residual factor for significantly intense reflections |
0.0547 |
Weighted residual factors for significantly intense reflections |
0.1546 |
Weighted residual factors for all reflections included in the refinement |
0.1564 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7245421.html