Information card for entry 7225960

Structure parameters

• Formula: C35 H28 N2
• Calculated formula: C35 H28 N2
• SMILES: n1c2c3c(c4c(c2n(c2ccc(C(C)(C)C)cc2)c1c1cc2c(cc1)cccc2)cccc4)cccc3
• 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: 9.1648 ± 0.0006 Å
• b: 11.4806 ± 0.0006 Å
• c: 12.7298 ± 0.0006 Å
• α: 95.203 ± 0.004°
• β: 97.22 ± 0.005°
• γ: 102.374 ± 0.005°
• Cell volume: 1288.31 ± 0.13 ų
• Cell temperature: 287.7 ± 0.2 K
• Ambient diffraction temperature: 287.7 ± 0.2 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: 0.0651
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No