Information card for entry 8105138
| Formula |
C30 H36 O8 |
| Calculated formula |
C30 H36 O8 |
| Title of publication |
The crystal structure of 6-methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl acetate–2,4-dihydroxybenzoic acid (1/1), C30H36O8 |
| Authors of publication |
Chen, Xiao F.; Li, Peng; Xu, Juan; Wang, Hui P.; Ning, Li F. |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2020 |
| Journal volume |
235 |
| Journal issue |
2 |
| Pages of publication |
453 - 455 |
| a |
10.899 ± 0.002 Å |
| b |
11.002 ± 0.002 Å |
| c |
11.847 ± 0.002 Å |
| α |
90° |
| β |
112.74 ± 0.03° |
| γ |
90° |
| Cell volume |
1310.2 ± 0.5 Å3 |
| Cell temperature |
163 ± 2 K |
| Ambient diffraction temperature |
163.15 K |
| Number of distinct elements |
3 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0546 |
| Residual factor for significantly intense reflections |
0.0504 |
| Weighted residual factors for significantly intense reflections |
0.1117 |
| Weighted residual factors for all reflections included in the refinement |
0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| 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/8105138.html
