Information card for entry 8104755
| Formula |
C16 H11 N5 O10 S |
| Calculated formula |
C16 H11 N5 O10 S |
| Title of publication |
Crystal structure of 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole – dimethyl sulfoxide (1/1), C16H11N5O10S |
| Authors of publication |
Cao, Huizhi; Yan, Mi; Huang, Shiliang; He, Xuan; Cao, Xiong |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2021 |
| Journal volume |
236 |
| Journal issue |
3 |
| Pages of publication |
523 - 525 |
| a |
4.6658 ± 0.00001 Å |
| b |
12.2129 ± 0.0004 Å |
| c |
17.0355 ± 0.0005 Å |
| α |
74.925 ± 0.002° |
| β |
86.398 ± 0.002° |
| γ |
88.04 ± 0.002° |
| Cell volume |
935.31 ± 0.04 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 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 |
0.0864 |
| Residual factor for significantly intense reflections |
0.0642 |
| Weighted residual factors for significantly intense reflections |
0.1605 |
| Weighted residual factors for all reflections included in the refinement |
0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8104755.html
