Information card for entry 7243628
Formula |
C18 H22 N O10.5 |
Calculated formula |
C18 H22 N O10.5 |
Title of publication |
Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect |
Authors of publication |
Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich |
Journal of publication |
CrystEngComm |
Year of publication |
2021 |
a |
11.287 ± 0.002 Å |
b |
11.583 ± 0.002 Å |
c |
15.893 ± 0.003 Å |
α |
74.88 ± 0.03° |
β |
86.45 ± 0.03° |
γ |
66.47 ± 0.03° |
Cell volume |
1837 ± 0.8 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 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 |
0.1186 |
Residual factor for significantly intense reflections |
0.0618 |
Weighted residual factors for significantly intense reflections |
0.142 |
Weighted residual factors for all reflections included in the refinement |
0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.951 |
Diffraction radiation wavelength |
0.9699 Å |
Diffraction radiation type |
synchrotron |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7243628.html