Information card for entry 2016551
Chemical name |
tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate |
Formula |
C20 H26 O10 |
Calculated formula |
C20 H26 O10 |
SMILES |
[C@]12(C)C(=C(OC)[C@H](C(=O)OC)[C@@]1(C)C(=C(OC)[C@@H]2C(=O)OC)C(=O)OC)C(=O)OC.[C@@]12(C)C(=C(OC)[C@@H](C(=O)OC)[C@]1(C)C(=C(OC)[C@H]2C(=O)OC)C(=O)OC)C(=O)OC |
Title of publication |
Five bicyclo[3.3.0]octa-2,6-dienes |
Authors of publication |
Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
4 |
Pages of publication |
o199 - o204 |
a |
11.6352 ± 0.0004 Å |
b |
13.3095 ± 0.0004 Å |
c |
13.2262 ± 0.0004 Å |
α |
90° |
β |
96.369 ± 0.001° |
γ |
90° |
Cell volume |
2035.55 ± 0.11 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.046 |
Residual factor for significantly intense reflections |
0.0396 |
Weighted residual factors for significantly intense reflections |
0.106 |
Weighted residual factors for all reflections included in the refinement |
0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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