Information card for entry 1544209

Structure parameters

• Formula: C99 H71 Cl3 N6
• Calculated formula: C99 H71 Cl3 N6
• Title of publication: Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence.
• Authors of publication: Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 953 - 960
• a: 10.6057 ± 0.0011 Å
• b: 13.3692 ± 0.0018 Å
• c: 14.5882 ± 0.0017 Å
• α: 80.422 ± 0.01°
• β: 78.548 ± 0.011°
• γ: 70.256 ± 0.009°
• Cell volume: 1897 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No