Information card for entry 7057539

Structure parameters

• Common name: ImPy
• Chemical name: 4-(1-pyrenyl)-N-(2-ethylhexyl)-1,8-naphthalimide
• Formula: C76 H70 N2 O5
• Calculated formula: C76 H70 N2 O5
• Title of publication: Pyrenyl substituted 1,8-naphthalimide as a new material for weak efficiency-roll-off red OLEDs: a theoretical and experimental study
• Authors of publication: Bezvikonnyi, Oleksandr; Gudeika, Dalius; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Bagdziunas, Gintautas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12492
• a: 9.29 ± 0.013 Å
• b: 12.67 ± 0.02 Å
• c: 13.427 ± 0.018 Å
• α: 78.37 ± 0.04°
• β: 79.43 ± 0.05°
• γ: 89.4 ± 0.06°
• Cell volume: 1521 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1676
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2721
• Weighted residual factors for all reflections included in the refinement: 0.3183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No