Information card for entry 2238392
Chemical name |
(1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol |
Formula |
C16 H26 O |
Calculated formula |
C16 H26 O |
SMILES |
O[C@@H]1C[C@]23C[C@]3(C)CCCC([C@H]2C=C1C)(C)C |
Title of publication |
Absolute configuration of (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol |
Authors of publication |
Abdoullah, Bimoussa; Aziz, Auhmani; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
8 |
Pages of publication |
o1308 - o1309 |
a |
6.1457 ± 0.0001 Å |
b |
8.2466 ± 0.0002 Å |
c |
27.4454 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1390.96 ± 0.05 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 |
0.0386 |
Residual factor for significantly intense reflections |
0.0367 |
Weighted residual factors for significantly intense reflections |
0.0956 |
Weighted residual factors for all reflections included in the refinement |
0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2238392.html