Information card for entry 7234245

Structure parameters

• Common name: PYPN
• Chemical name: 2-(pyren-1-yl)-1H-phenanthro[9,10-d]imidazole
• Formula: C31 H18 N2
• Calculated formula: C31 H18 N2
• Title of publication: Utilization of a phenanthroimidazole based fluorophore in light-emitting electrochemical cells
• Authors of publication: Madayanad Suresh Subeesh; Kanagaraj Shanmugasundaram; Chozhidakath Damodharan Sunesh; Yong Sun Won; Youngson Choe
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4683 - 4687
• a: 24.4661 ± 0.001 Å
• b: 24.4661 ± 0.001 Å
• c: 20.545 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10650.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No