Information card for entry 8105547
| Formula |
C21 H15 F2 N O5 |
| Calculated formula |
C21 H15 F2 N O5 |
| Title of publication |
Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5 |
| Authors of publication |
Li, Jingwei; Nie, Xingyu; Fan, Hao; Wu, Xuejiao; Li, Xiaonan; He, Jieli |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2018 |
| Journal volume |
234 |
| Journal issue |
1 |
| Pages of publication |
77 - 78 |
| a |
5.699 ± 0.003 Å |
| b |
9.629 ± 0.004 Å |
| c |
16.888 ± 0.002 Å |
| α |
86.51 ± 0.03° |
| β |
84.31 ± 0.03° |
| γ |
81.06 ± 0.03° |
| Cell volume |
910 ± 0.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.152 |
| Residual factor for significantly intense reflections |
0.0643 |
| Weighted residual factors for significantly intense reflections |
0.1619 |
| Weighted residual factors for all reflections included in the refinement |
0.227 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.891 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8105547.html
