Information card for entry 2239159
Chemical name |
(1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one |
Formula |
C16 H24 O |
Calculated formula |
C16 H24 O |
SMILES |
CC1=C[C@@H]2C(C)(C)CCC[C@@]3([C@@]2(CC1=O)C3)C |
Title of publication |
(1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one |
Authors of publication |
Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
1 |
Pages of publication |
o81 - o82 |
a |
6.4379 ± 0.0002 Å |
b |
7.8889 ± 0.0003 Å |
c |
13.5122 ± 0.0005 Å |
α |
90° |
β |
97.43 ± 0.002° |
γ |
90° |
Cell volume |
680.49 ± 0.04 Å3 |
Cell temperature |
180 ± 2 K |
Ambient diffraction temperature |
180 ± 2 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 |
0.0502 |
Residual factor for significantly intense reflections |
0.0413 |
Weighted residual factors for significantly intense reflections |
0.1048 |
Weighted residual factors for all reflections included in the refinement |
0.1112 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
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/2239159.html