Information card for entry 8107104
| Formula |
C16 H13 N3 O4 |
| Calculated formula |
C16 H13 N3 O4 |
| Title of publication |
The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4 |
| Authors of publication |
Luo, Yunchun; Yi, Wen; Yao, Yuzhou; Zhu, Ni; Qin, Pengfei |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2016 |
| Journal volume |
231 |
| Journal issue |
4 |
| Pages of publication |
1077 - 1078 |
| a |
13.8536 ± 0.0012 Å |
| b |
11.0922 ± 0.0007 Å |
| c |
20.432 ± 0.002 Å |
| α |
90° |
| β |
108.491 ± 0.01° |
| γ |
90° |
| Cell volume |
2977.6 ± 0.5 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.093 |
| Residual factor for significantly intense reflections |
0.0533 |
| Weighted residual factors for significantly intense reflections |
0.1278 |
| Weighted residual factors for all reflections included in the refinement |
0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| 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/8107104.html
