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Information card for entry 7221686
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Coordinates | 7221686.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3,5-dibromo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical |
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Formula | C18 H6 Br2 Cl6 N |
Calculated formula | C18 H6 Br2 Cl6 N |
SMILES | Brc1cncc(Br)c1[C](c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl |
Title of publication | Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties |
Authors of publication | Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 79 |
Pages of publication | 64802 |
a | 7.461 ± 0.004 Å |
b | 10.846 ± 0.006 Å |
c | 12.66 ± 0.007 Å |
α | 81.516 ± 0.011° |
β | 88.763 ± 0.014° |
γ | 87.731 ± 0.014° |
Cell volume | 1012.3 ± 1 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 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 significantly intense reflections | 0.1517 |
Weighted residual factors for all reflections included in the refinement | 0.4232 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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