Information card for entry 7234519

Structure parameters

• Formula: C28 H22 F2 O2
• Calculated formula: C28 H22 F2 O2
• 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: 9.9658 ± 0.0005 Å
• b: 10.8639 ± 0.0005 Å
• c: 10.6141 ± 0.0005 Å
• α: 90°
• β: 102.33 ± 0.005°
• γ: 90°
• Cell volume: 1122.65 ± 0.1 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No