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Information card for entry 1558925
Preview
| Coordinates | 1558925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 N4 O8 |
|---|---|
| Calculated formula | C17 N4 O8 |
| SMILES | O=N(=O)c1cc2c3c(cccc3c3ccccc23)c1C(N(=O)=O)(N(=O)=O)N(=O)=O |
| Title of publication | Photochemical Nitration by Tetranitromethane. VIII. Isolation, X-Ray Structural Analysis and Chemical Properties of a Vicinal Nitro/trinitromethyl Adduct from Fluoranthene |
| Authors of publication | Eberson, Lennart; Hartshorn, Michael P.; Radner, Finn; Robinson, Ward T. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 410 - 415 |
| a | 11.124 ± 0.025 Å |
| b | 6.286 ± 0.004 Å |
| c | 11.856 ± 0.004 Å |
| α | 90° |
| β | 103.84 ± 0.04° |
| γ | 90° |
| Cell volume | 805 ± 1.9 Å3 |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255712 (current) | 2020-08-28 | cif/ Adding structures of 1558925 via cif-deposit CGI script. |
1558925.cif |
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Users of the data should acknowledge the original authors of the
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