Information card for entry 2226648
Chemical name |
9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro- 9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione |
Formula |
C24 H28 O5 |
Calculated formula |
C24 H28 O5 |
SMILES |
O1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(CC2=O)(C)C)c1cc(OC)c(O)cc1 |
Title of publication |
9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione |
Authors of publication |
Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
7 |
Pages of publication |
o1538 - o1539 |
a |
11.4861 ± 0.001 Å |
b |
11.8659 ± 0.0011 Å |
c |
30.087 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
4100.6 ± 0.7 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0648 |
Residual factor for significantly intense reflections |
0.0447 |
Weighted residual factors for significantly intense reflections |
0.1175 |
Weighted residual factors for all reflections included in the refinement |
0.136 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
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/2226648.html