Information card for entry 2222153
Chemical name |
3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one |
Formula |
C18 H21 I O |
Calculated formula |
C18 H21 I O |
SMILES |
Ic1cc2CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3c2cc1)C |
Title of publication |
3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one |
Authors of publication |
Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1195 |
a |
9.9636 ± 0.0002 Å |
b |
10.5246 ± 0.0002 Å |
c |
14.3535 ± 0.0002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1505.15 ± 0.05 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.019 |
Residual factor for significantly intense reflections |
0.018 |
Weighted residual factors for significantly intense reflections |
0.044 |
Weighted residual factors for all reflections included in the refinement |
0.045 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2222153.html