Information card for entry 1508534

Structure parameters

• Formula: C38 H44 O4
• Calculated formula: C38 H44 O4
• SMILES: CCCOc1ccc(cc1)C(=C(c1ccc(cc1)OCCC)c1ccc(cc1)OCCC)c1ccc(cc1)OCCC
• Title of publication: Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli
• Authors of publication: Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 41
• Pages of publication: 21967
• a: 9.4067 ± 0.0012 Å
• b: 10.9795 ± 0.0014 Å
• c: 15.662 ± 0.002 Å
• α: 86.97 ± 0.002°
• β: 85.99 ± 0.002°
• γ: 88.859 ± 0.002°
• Cell volume: 1611.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No