Information card for entry 7237053

Structure parameters

• Formula: C65 H45 N3
• Calculated formula: C65 H45 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: 11.0325 ± 0.0004 Å
• b: 13.8922 ± 0.0005 Å
• c: 17.6967 ± 0.0008 Å
• α: 100.024 ± 0.004°
• β: 94.455 ± 0.004°
• γ: 109.496 ± 0.004°
• Cell volume: 2490.68 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2241
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No