Information card for entry 7225959

Structure parameters

• Formula: C41 H32 N2
• Calculated formula: C41 H32 N2
• SMILES: n1(c2c3c(c4c(c2nc1c1ccc(cc1)C(C)(C)C)cccc4)cccc3)c1ccc(c2cc3c(cc2)cccc3)cc1
• Title of publication: Phenanthroimidazole derivatives as emitters for non-doped deep-blue organic light emitting devices
• Authors of publication: Zhang, Ying; Wang, Jun-Hao; Han, Gaoyi; Lu, Feng; Tong, Qing-Xiao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.2626 ± 0.0005 Å
• b: 11.9048 ± 0.0006 Å
• c: 12.571 ± 0.0006 Å
• α: 80.905 ± 0.001°
• β: 88.592 ± 0.001°
• γ: 81.832 ± 0.001°
• Cell volume: 1501.15 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 296.74 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: 0.1053
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No