Information card for entry 4515204

Structure parameters

• Formula: C40 H44 N2 O2
• Calculated formula: C40 H44 N2 O2
• Title of publication: Highly Efficient Deep-Blue Electroluminescence Based on a Solution-Processable A-π-D-π-A Oligo(p-phenyleneethynylene) Small Molecule.
• Authors of publication: Usta, Hakan; Alimli, Dilek; Ozdemir, Resul; Dabak, Salih; Zorlu, Yunus; Alkan, Fahri; Tekin, Emine; Can, Ayse
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 9.8605 ± 0.0008 Å
• b: 11.7357 ± 0.001 Å
• c: 14.9221 ± 0.0012 Å
• α: 90°
• β: 92.649 ± 0.005°
• γ: 90°
• Cell volume: 1724.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No