Information card for entry 7233955

Structure parameters

• Chemical name: 4,4'-(2,2-bis(4-fluorophenyl)ethene-1,1-diyl)bis(N,N-diethylaniline)
• Formula: C34 H36 F2 N2
• Calculated formula: C34 H36 F2 N2
• SMILES: Fc1ccc(C(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccc(F)cc2)cc1
• Title of publication: Diethylamino functionalized tetraphenylethenes: structural and electronic modulation of photophysical properties, implication for the CIE mechanism and application to cell imaging
• Authors of publication: Yiliu Lin; Gan Chen; Lifang Zhao; Wang Zhang Yuan; Yongming Zhang; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 112 - 120
• a: 9.6825 ± 0.0004 Å
• b: 10.7418 ± 0.0005 Å
• c: 14.3568 ± 0.0007 Å
• α: 73.476 ± 0.004°
• β: 76.694 ± 0.004°
• γ: 88.074 ± 0.004°
• Cell volume: 1392.3 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No