Information card for entry 2230264
Chemical name |
3-(4-Chlorophenyl)-1-[(2<i>R</i>,4a<i>R</i>,8a<i>R</i>)-4a,8-dimethyl- 1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one |
Formula |
C21 H25 Cl O |
Calculated formula |
C21 H25 Cl O |
SMILES |
C1[C@@H](CC[C@]2(CCC=C([C@H]12)C)C)C(=O)/C=C/c1ccc(cc1)Cl |
Title of publication |
3-(4-Chlorophenyl)-1-[(2<i>R</i>,4a<i>R</i>,8a<i>R</i>)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one |
Authors of publication |
Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1358 |
a |
10.9869 ± 0.0005 Å |
b |
7.0054 ± 0.0003 Å |
c |
12.1883 ± 0.0006 Å |
α |
90° |
β |
105.726 ± 0.002° |
γ |
90° |
Cell volume |
902.99 ± 0.07 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0523 |
Residual factor for significantly intense reflections |
0.0387 |
Weighted residual factors for significantly intense reflections |
0.0975 |
Weighted residual factors for all reflections included in the refinement |
0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.084 |
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/2230264.html