Information card for entry 1508535

Structure parameters

• Formula: C42 H52 O4
• Calculated formula: C42 H52 O4
• SMILES: O(CCCC)c1ccc(cc1)C(=C(c1ccc(OCCCC)cc1)\c1ccc(OCCCC)cc1)\c1ccc(OCCCC)cc1
• 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: 9.5229 ± 0.0009 Å
• b: 12.0451 ± 0.0013 Å
• c: 32.149 ± 0.003 Å
• α: 90°
• β: 99.557 ± 0.003°
• γ: 90°
• Cell volume: 3636.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No