Information card for entry 2237311
Common name |
Desoxyhemigossypol 6-methyl ether |
Chemical name |
6-Methoxy-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^4,12^]dodeca-1(11),4,6,8(12),9-pentaen-5-ol |
Formula |
C16 H18 O3 |
Calculated formula |
C16 H18 O3 |
SMILES |
c12cc(cc3c(c(c(c(c13)CO2)O)OC)C(C)C)C |
Title of publication |
Desoxyhemigossypol 6-methyl ether |
Authors of publication |
Uzbekov, Vyacheslav V.; Talipov, Samat A.; Ibragimov, Bakhtiyar T.; Stipanovic, Robert D.; Liu, Jinggao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
2 |
Pages of publication |
o302 |
a |
10.0275 ± 0.0005 Å |
b |
11.1058 ± 0.0006 Å |
c |
13.2938 ± 0.0008 Å |
α |
107.797 ± 0.005° |
β |
103.896 ± 0.005° |
γ |
90.435 ± 0.004° |
Cell volume |
1363.08 ± 0.14 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0729 |
Residual factor for significantly intense reflections |
0.0499 |
Weighted residual factors for significantly intense reflections |
0.143 |
Weighted residual factors for all reflections included in the refinement |
0.1579 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2237311.html