Information card for entry 1549493

Structure parameters

• Formula: C50 H46 N2
• Calculated formula: C50 H46 N2
• SMILES: N(c1ccc(C(=C(c2ccc(c3ccc4c5c3ccc3c5c(cc4)ccc3)cc2)c2ccccc2)c2ccc(N(CC)CC)cc2)cc1)(CC)CC
• Title of publication: Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.
• Authors of publication: Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5679 - 5687
• a: 10.1039 ± 0.0004 Å
• b: 14.5087 ± 0.0009 Å
• c: 15.0844 ± 0.0008 Å
• α: 65.241 ± 0.005°
• β: 89.939 ± 0.004°
• γ: 69.932 ± 0.005°
• Cell volume: 1859.5 ± 0.2 ų
• Cell temperature: 99.97 ± 0.1 K
• Ambient diffraction temperature: 99.97 ± 0.1 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: 0.0463
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No