Information card for entry 7233934

Structure parameters

• Formula: C44 H31 N3
• Calculated formula: C44 H31 N3
• SMILES: N1(c2c3ccccc3c3ccccc3c2N(c2c1cccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes
• Authors of publication: Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 9858 - 9865
• a: 9.5653 ± 0.0013 Å
• b: 11.8383 ± 0.0016 Å
• c: 14.678 ± 0.002 Å
• α: 102.839 ± 0.003°
• β: 96.717 ± 0.003°
• γ: 102.722 ± 0.003°
• Cell volume: 1556.5 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No