Information card for entry 8104614
| Formula |
C32 H38 Cl0 N2 O4 |
| Calculated formula |
C32 H38 N2 O4 |
| Title of publication |
Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4 |
| Authors of publication |
Yang, Shuai; Dong, Jin-Ling; Chen, Jin-Ming |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2021 |
| Journal volume |
236 |
| Journal issue |
6 |
| Pages of publication |
1381 - 1382 |
| a |
6.983 ± 0.005 Å |
| b |
8.472 ± 0.006 Å |
| c |
12.113 ± 0.007 Å |
| α |
88.009 ± 0.011° |
| β |
73.45 ± 0.03° |
| γ |
81.793 ± 0.009° |
| Cell volume |
679.9 ± 0.8 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0676 |
| Residual factor for significantly intense reflections |
0.0566 |
| Weighted residual factors for significantly intense reflections |
0.1737 |
| Weighted residual factors for all reflections included in the refinement |
0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
| 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/8104614.html
