Information card for entry 1502765

Structure parameters

• Formula: C40 H28 O2
• Calculated formula: C40 H28 O2
• SMILES: O=C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(cc2)C(=O)c2ccccc2)cc1)c1ccccc1
• Title of publication: Aggregation emission properties of oligomers based on tetraphenylethylene.
• Authors of publication: Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 18
• Pages of publication: 5983 - 5988
• a: 16.698 ± 0.003 Å
• b: 10.5516 ± 0.0019 Å
• c: 16.706 ± 0.003 Å
• α: 90°
• β: 98.437 ± 0.002°
• γ: 90°
• Cell volume: 2911.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No