Information card for entry 2234266
Chemical name |
9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9- hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione |
Formula |
C25 H30 O6 |
Calculated formula |
C25 H30 O6 |
SMILES |
C12=C(C(=O)CC(C1)(C)C)C(C1=C(CC(CC1=O)(C)C)O2)c1cc(c(c(c1)OC)O)OC |
Title of publication |
9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione |
Authors of publication |
Sughanya, V.; Sureshbabu, N. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1060 |
a |
9.4268 ± 0.0009 Å |
b |
10.2468 ± 0.001 Å |
c |
12.6122 ± 0.0011 Å |
α |
84.973 ± 0.006° |
β |
70.377 ± 0.005° |
γ |
75.676 ± 0.006° |
Cell volume |
1111.83 ± 0.19 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1113 |
Residual factor for significantly intense reflections |
0.0513 |
Weighted residual factors for significantly intense reflections |
0.1209 |
Weighted residual factors for all reflections included in the refinement |
0.1571 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.983 |
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/2234266.html