Information card for entry 7225958

Structure parameters

• Formula: C41 H32 N2
• Calculated formula: C41 H32 N2
• SMILES: n1(c(nc2c1c1c(c3c2cccc3)cccc1)c1ccc(cc1)c1c2c(ccc1)cccc2)c1ccc(cc1)C(C)(C)C
• 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: 6.0705 ± 0.0005 Å
• b: 23.4961 ± 0.0019 Å
• c: 21.2512 ± 0.0017 Å
• α: 90°
• β: 93.446 ± 0.001°
• γ: 90°
• Cell volume: 3025.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No