Information card for entry 7223910

Structure parameters

• Formula: C39 H25 N O
• Calculated formula: C39 H25 N O
• SMILES: N(c1c2ccc3cccc4ccc(cc1)c2c34)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc(OC)cc1
• Title of publication: A new series of pyrenyl-based triarylamines: syntheses, structures, optical properties, electrochemistry and electroluminescence
• Authors of publication: zhang, ran; Zhao, Yun; Li, Guo-Ling; Yang, Daisheng; Ni, Zhong-Hai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.92 ± 0.002 Å
• b: 11.212 ± 0.002 Å
• c: 12.802 ± 0.003 Å
• α: 115.66 ± 0.03°
• β: 106.77 ± 0.03°
• γ: 90.89 ± 0.03°
• Cell volume: 1334.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No