Information card for entry 7237334

Structure parameters

• Formula: C52 H32 Cl9 N5 O2
• Calculated formula: C52 H32 Cl9 N5 O2
• Title of publication: Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance
• Authors of publication: Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 6543
• a: 10.3134 ± 0.0009 Å
• b: 13.439 ± 0.001 Å
• c: 18.0482 ± 0.0015 Å
• α: 80.535 ± 0.003°
• β: 88.487 ± 0.003°
• γ: 83.795 ± 0.003°
• Cell volume: 2452.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.2118
• Residual factor for significantly intense reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.3557
• Weighted residual factors for all reflections included in the refinement: 0.4173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No