Information card for entry 2010977
Formula |
C20 H24 O2 |
Calculated formula |
C20 H24 O2 |
SMILES |
Oc1c(c2c(c3c1C[C@@H](C3=O)C)C(=C)CC[C@H]1[C@@H]2C1(C)C)C |
Title of publication |
[1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6<i>H</i>-cyclopropa[3,4]cyclohept[1,2-<i>e</i>]inden-6-one |
Authors of publication |
Do Valle, N. T.; De Simone, C. A.; Pereira, M. A.; Goulart, M. O. F. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
5 |
Pages of publication |
566 - 567 |
a |
13.378 ± 0.002 Å |
b |
13.378 ± 0.002 Å |
c |
18.803 ± 0.006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3365.2 ± 1.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
96 |
Hermann-Mauguin space group symbol |
P 43 21 2 |
Hall space group symbol |
P 4nw 2abw |
Residual factor for all reflections |
0.0711 |
Residual factor for significantly intense reflections |
0.0573 |
Weighted residual factors for all reflections included in the refinement |
0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.157 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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