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Information card for entry 1557555
Preview
Coordinates | 1557555.cif |
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Original paper (by DOI) | HTML |
Common name | c-4-Hydroxy-r-1-trinitromethyl-1,4-dihydrodibenzofuran |
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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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