Information card for entry 7221685

Structure parameters

• Chemical name: (3,5-difluoro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical
• Formula: C18 H6 Cl6 F2 N
• Calculated formula: C18 H6 Cl6 F2 N
• SMILES: Clc1cc(Cl)cc(Cl)c1[C](c1c(F)cncc1F)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: 14.5687 ± 0.0014 Å
• b: 8.137 ± 0.0005 Å
• c: 16.2873 ± 0.0016 Å
• α: 90°
• β: 105.775 ± 0.004°
• γ: 90°
• Cell volume: 1858.1 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No