Information card for entry 2230490
Chemical name |
5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro- 2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde |
Formula |
C15 H18 O3 |
Calculated formula |
C15 H18 O3 |
SMILES |
C1(=O)C(=C)[C@@H]2C[C@]([C@@H]3CC=C([C@@H]3[C@H]2O1)C)(C=O)C |
Title of publication |
5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro-2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde |
Authors of publication |
Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1479 |
a |
9.5293 ± 0.0003 Å |
b |
9.7885 ± 0.0003 Å |
c |
13.7524 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1282.79 ± 0.07 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0351 |
Residual factor for significantly intense reflections |
0.0308 |
Weighted residual factors for significantly intense reflections |
0.0808 |
Weighted residual factors for all reflections included in the refinement |
0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
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/2230490.html