Information card for entry 7237054

Structure parameters

• Formula: C39 H27 I N3
• Calculated formula: C39 H27 I 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: 8.1689 ± 0.0012 Å
• b: 11.2594 ± 0.0009 Å
• c: 17.439 ± 0.002 Å
• α: 96.245 ± 0.009°
• β: 91.993 ± 0.013°
• γ: 101.903 ± 0.01°
• Cell volume: 1557.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1809
• Residual factor for significantly intense reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.3736
• Weighted residual factors for all reflections included in the refinement: 0.4207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No