Information card for entry 4133945

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c1(cccc(c2c3ccccc3cc3c2cccc3)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: 11.7141 ± 0.0003 Å
• b: 17.1834 ± 0.0005 Å
• c: 13.6219 ± 0.0003 Å
• α: 90°
• β: 95.444 ± 0.001°
• γ: 90°
• Cell volume: 2729.56 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No