Information card for entry 1554078

Structure parameters

• Formula: C40 H26
• Calculated formula: C40 H26
• SMILES: c1(c(cccc1)/C=C/c1c2c(cc3c1cccc3)cccc2)/C=C/c1c2c3c4c(ccc3cc1)cccc4cc2
• Title of publication: Substitution Position and Vinylene Bond Geometry Modulating the Fluorescence Solvatochromism and Aggregation-Induced Emission of (9-Anthryl)vinyl(1-pyrenyl)vinylbenzene Isomers
• Authors of publication: Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Sun, Guo-Xin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 38
• Pages of publication: 21722
• a: 18.261 ± 0.005 Å
• b: 6.743 ± 0.0018 Å
• c: 21.906 ± 0.004 Å
• α: 90°
• β: 98.39 ± 0.02°
• γ: 90°
• Cell volume: 2668.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 2
• 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: 0.1773
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No