Information card for entry 7221686

Structure parameters

• Chemical name: (3,5-dibromo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical
• 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 ų
• 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