Information card for entry 7233828

Structure parameters

• Formula: C39 H29 N2 O2 P
• Calculated formula: C39 H29 N2 O2 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)c1cccc(c1)c1nc2c(c3ccccc3c3ccccc23)n1c1ccccc1.O
• Title of publication: New multifunctional phenanthroimidazole-phosphine oxide hybrids for high-performance red, green and blue electroluminescent devices
• Authors of publication: Kai Wang; Shipan Wang; Jinbei Wei; Shanyong Chen; Dong Liu; Yu Liu; Yue Wang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 6817 - 6826
• a: 11.121 ± 0.002 Å
• b: 16.819 ± 0.003 Å
• c: 16.495 ± 0.003 Å
• α: 90°
• β: 94.15 ± 0.03°
• γ: 90°
• Cell volume: 3077.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1182
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No