Information card for entry 7245293
Formula |
C16 H18 Cl N O6 |
Calculated formula |
C16 H18 Cl N O6 |
Title of publication |
Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group |
Authors of publication |
Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich |
Journal of publication |
CrystEngComm |
Year of publication |
2022 |
a |
7.8932 ± 0.001 Å |
b |
26.076 ± 0.003 Å |
c |
8.2119 ± 0.001 Å |
α |
90° |
β |
107.482 ± 0.014° |
γ |
90° |
Cell volume |
1612.1 ± 0.4 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0959 |
Residual factor for significantly intense reflections |
0.0691 |
Weighted residual factors for significantly intense reflections |
0.1751 |
Weighted residual factors for all reflections included in the refinement |
0.2043 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7245293.html