Information card for entry 1546326
| Formula |
C19 H10 O3 |
| Calculated formula |
C19 H10 O3 |
| SMILES |
O=C1c2ccccc2Oc2c3ccccc3c3ccoc3c12 |
| Title of publication |
Transition-Metal-Free Photoinduced Intramolecular Annulation of 2,3-Di(hetero)arylchromen-4-one |
| Authors of publication |
Han, Jie; Wang, Tao; Liang, Yong; Li, Ying; Li, Chenchen; Wang, Rui; Feng, Siqi; Zhang, Zunting |
| Journal of publication |
Organic Letters |
| Year of publication |
2017 |
| a |
6.958 ± 0.004 Å |
| b |
8.66 ± 0.005 Å |
| c |
11.304 ± 0.006 Å |
| α |
106.451 ± 0.009° |
| β |
92.498 ± 0.01° |
| γ |
100.27 ± 0.009° |
| Cell volume |
639.6 ± 0.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.1562 |
| Residual factor for significantly intense reflections |
0.1112 |
| Weighted residual factors for significantly intense reflections |
0.2996 |
| Weighted residual factors for all reflections included in the refinement |
0.3479 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| 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/1546326.html
