Information card for entry 7129716
Chemical name |
(+)-(2aS,4aS,6aS)-hexahydro-1,3,5-triazacyclopenta[cd]pentalene-2,4,6(1H)-trione |
Formula |
C16 H17 N7 O6 |
Calculated formula |
C16 H17 N7 O6 |
Title of publication |
The long-awaited synthesis and self-assembly of a small rigid C3 symmetric trilactam |
Authors of publication |
Li, Yutang; Strand, Daniel; Grimme, Stefan; Jónsson, Stefán; Wärnmark, Kenneth |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
10.2416 ± 0.0018 Å |
b |
9.0837 ± 0.0012 Å |
c |
10.5564 ± 0.0016 Å |
α |
90° |
β |
117.25 ± 0.02° |
γ |
90° |
Cell volume |
873.1 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.1246 |
Residual factor for significantly intense reflections |
0.0785 |
Weighted residual factors for significantly intense reflections |
0.2775 |
Weighted residual factors for all reflections included in the refinement |
0.2944 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7129716.html