Information card for entry 8101072
Formula |
C16 H26 O3 |
Calculated formula |
C16 H26 O3 |
SMILES |
O[C@@H]1C(C2=CC[C@@H]([C@]([C@@H]2CC1)(C(=O)OC)C)C)(C)C.O[C@H]1C(C2=CC[C@H]([C@@]([C@H]2CC1)(C(=O)OC)C)C)(C)C |
Title of publication |
Crystal structure of carbomethoxy-6-hydroxy-1,2,5,5-tetramethyl-1, 2,3,5,6,7,8,8a-octahydronaphtalene, C~16~H~26~O~3~ |
Authors of publication |
Zukerman-Schpector, J. |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2001 |
Journal volume |
216 |
Journal issue |
4 |
Pages of publication |
581 - 582 |
a |
27.37 ± 0.002 Å |
b |
6.446 ± 0.0009 Å |
c |
18.66 ± 0.002 Å |
α |
90° |
β |
114.07 ± 0.01° |
γ |
90° |
Cell volume |
3005.9 ± 0.6 Å3 |
Ambient diffraction temperature |
291 ± 1 K |
Number of distinct elements |
3 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for significantly intense reflections |
0.0506 |
Weighted residual factors for significantly intense reflections |
0.1264 |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/8101072.html