Information card for entry 4133944

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c1(c2c3c(cc4c2cccc4)cccc3)cccc(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.
• Authors of publication: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 3
• Pages of publication: 1153 - 1158
• a: 11.6624 ± 0.0004 Å
• b: 17.1444 ± 0.0005 Å
• c: 13.6082 ± 0.0004 Å
• α: 90°
• β: 95.398 ± 0.001°
• γ: 90°
• Cell volume: 2708.82 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.26 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No