Information card for entry 4133946

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c1(c2c3ccccc3cc3c2cccc3)ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• 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: 9.5948 ± 0.0006 Å
• b: 9.7067 ± 0.0006 Å
• c: 15.6253 ± 0.0011 Å
• α: 79.68 ± 0.003°
• β: 84.432 ± 0.003°
• γ: 84.978 ± 0.003°
• Cell volume: 1421.28 ± 0.16 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 296.79 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1615
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No