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Information card for entry 8104755
Preview
| Coordinates | 8104755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273692 (current) | 2022-03-15 | cif/ Adding structures of 8104755 via cif-deposit CGI script. |
8104755.cif |
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Users of the data should acknowledge the original authors of the
structural data.