Information card for entry 7234518

Structure parameters

• Formula: C28 H22 F2 O2
• Calculated formula: C28 H22 F2 O2
• SMILES: Fc1ccc(C(=C(\c2ccc(F)cc2)c2ccc(OC)cc2)\c2ccc(OC)cc2)cc1
• Title of publication: A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization
• Authors of publication: Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 99 - 107
• a: 9.9507 ± 0.0009 Å
• b: 14.1404 ± 0.0014 Å
• c: 15.7474 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2215.8 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No