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Information card for entry 1557555
Preview
| Coordinates | 1557555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | c-4-Hydroxy-r-1-trinitromethyl-1,4-dihydrodibenzofuran |
|---|---|
| Formula | C13 H9 N3 O8 |
| Calculated formula | C13 N3 O8 |
| Title of publication | Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran |
| Authors of publication | Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1996 |
| Journal volume | 50 |
| Pages of publication | 587 - 595 |
| a | 9.386 ± 0.004 Å |
| b | 10.914 ± 0.004 Å |
| c | 26.294 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2693.5 ± 1.8 Å3 |
| Ambient diffraction temperature | 166 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249193 (current) | 2020-03-09 | cif/ Updating files of 1557555 Original log message: C3 y coordinate modified (guessed...) from 0.0366(9) to 0.9366(9) |
1557555.cif |
| 249191 | 2020-03-09 | cif/ Adding structures of 1557555 via cif-deposit CGI script. |
1557555.cif |
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