Information card for entry 8106511
| Formula |
C19 H19 N O6 |
| Calculated formula |
C19 H19 N O6 |
| Title of publication |
Crystal structure of 4a-Hydroxy-9-(2-nitro-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C19H19NO6 |
| Authors of publication |
Li, Jiangtao |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2017 |
| Journal volume |
232 |
| Journal issue |
2 |
| Pages of publication |
283 - 284 |
| a |
7.009 ± 0.003 Å |
| b |
8.081 ± 0.003 Å |
| c |
15.218 ± 0.008 Å |
| α |
101.973 ± 0.009° |
| β |
99.137 ± 0.01° |
| γ |
102.164 ± 0.007° |
| Cell volume |
805.6 ± 0.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0664 |
| Residual factor for significantly intense reflections |
0.052 |
| Weighted residual factors for significantly intense reflections |
0.1215 |
| Weighted residual factors for all reflections included in the refinement |
0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.088 |
| 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/8106511.html
