Information card for entry 1553609
| Formula |
C41 H40 O11 |
| Calculated formula |
C41 H40 O11 |
| SMILES |
O1c2cc(OC(C)C)cc(OC(C)C)c2C(=O)C(=C1c1ccc(OC)cc1)c1c(OC)cc2OC(=CC(=O)c2c1OC)c1ccc(OC)c(OC)c1 |
| Title of publication |
Total synthesis of I3,II8-biapigenin and ridiculuflavone A |
| Authors of publication |
Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2017 |
| Journal volume |
4 |
| Journal issue |
4 |
| Pages of publication |
578 |
| a |
9.7469 ± 0.0007 Å |
| b |
13.1171 ± 0.0008 Å |
| c |
17.5212 ± 0.0012 Å |
| α |
70.806 ± 0.008° |
| β |
75.292 ± 0.008° |
| γ |
73.524 ± 0.008° |
| Cell volume |
1996.5 ± 0.3 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 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 |
0.0639 |
| Residual factor for significantly intense reflections |
0.0482 |
| Weighted residual factors for significantly intense reflections |
0.1461 |
| Weighted residual factors for all reflections included in the refinement |
0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.092 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1553609.html
