Information card for entry 7237055

Structure parameters

• Formula: C39 H26 Br N3
• Calculated formula: C39 H26 Br N3
• Title of publication: Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs
• Authors of publication: Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 2077
• a: 16.0838 ± 0.0005 Å
• b: 6.9446 ± 0.0002 Å
• c: 26.8363 ± 0.0007 Å
• α: 90°
• β: 91.926 ± 0.003°
• γ: 90°
• Cell volume: 2995.8 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1815
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No