Information card for entry 2205629
Common name |
1,2-dihydrotanshinquinone |
Chemical name |
8,9-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione |
Formula |
C18 H14 O3 |
Calculated formula |
C18 H14 O3 |
SMILES |
o1c2c3c(c4c(cc3)C(=CCC4)C)C(=O)C(=O)c2c(c1)C |
Title of publication |
8,9-Dihydro-1,6-dimethylphenanthro[1,2-<i>b</i>]furan-10,11-dione |
Authors of publication |
Qin, Jiang-Ke; Liao, Cheng-Zhu; Wang, Yong-Tao; Bu, Xian-Zhang; Huang, Zhi-Shu; Gu, Lian-Quan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
4 |
Pages of publication |
o804 - o805 |
a |
7.9225 ± 0.0011 Å |
b |
8.0119 ± 0.001 Å |
c |
11.7565 ± 0.0014 Å |
α |
83.979 ± 0.002° |
β |
86.251 ± 0.002° |
γ |
64.422 ± 0.002° |
Cell volume |
669.22 ± 0.15 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 |
0.0479 |
Residual factor for significantly intense reflections |
0.0402 |
Weighted residual factors for significantly intense reflections |
0.117 |
Weighted residual factors for all reflections included in the refinement |
0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2205629.html