Information card for entry 7119745

Structure parameters

• Formula: C34 H28 O8
• Calculated formula: C34 H28 O8
• SMILES: C(=C(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C)(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C
• Title of publication: Liquefaction-induced emission enhancement of tetraphenylethene derivatives.
• Authors of publication: Machida, Takashi; Taniguchi, Ryosuke; Oura, Tsuyoshi; Sada, Kazuki; Kokado, Kenta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 2378 - 2381
• a: 10.4605 ± 0.0008 Å
• b: 20.3913 ± 0.0013 Å
• c: 14.1238 ± 0.0008 Å
• α: 90°
• β: 102.144 ± 0.002°
• γ: 90°
• Cell volume: 2945.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.1279
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No