Information card for entry 1553674

Structure parameters

• Formula: C42 H29 N O2
• Calculated formula: C42 H29 N O2
• SMILES: o1c2c(cccc2c(c1c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C#N)c1ccc(OC)cc1
• Title of publication: Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence
• Authors of publication: Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1858
• a: 9.4088 ± 0.0007 Å
• b: 11.452 ± 0.0008 Å
• c: 15.1598 ± 0.0009 Å
• α: 90.309 ± 0.005°
• β: 105.929 ± 0.006°
• γ: 93.468 ± 0.006°
• Cell volume: 1567.45 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0904
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No