Information card for entry 8104814
| Formula |
C20 H21 F2 N O4 |
| Calculated formula |
C20 H21 F2 N O4 |
| Title of publication |
The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4 |
| Authors of publication |
Shin, Soon Young; Yoo, Miri; Koh, Dongsoo |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2021 |
| Journal volume |
236 |
| Journal issue |
2 |
| Pages of publication |
307 - 309 |
| a |
8.6363 ± 0.0011 Å |
| b |
9.9144 ± 0.0011 Å |
| c |
11.8734 ± 0.0015 Å |
| α |
81.891 ± 0.004° |
| β |
72.889 ± 0.004° |
| γ |
80.972 ± 0.003° |
| Cell volume |
954.7 ± 0.2 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 2 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 |
0.0703 |
| Residual factor for significantly intense reflections |
0.0466 |
| Weighted residual factors for significantly intense reflections |
0.1134 |
| Weighted residual factors for all reflections included in the refinement |
0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8104814.html
