Information card for entry 7108093

Structure parameters

• Common name: aie meo-cf3dsb
• Chemical name: aie meo-cf3dsb
• Formula: C28 H24 F6 O4
• Calculated formula: C28 H24 F6 O4
• SMILES: c1c(OC)c(cc(c1/C=C(\c1ccc(OC)cc1)C(F)(F)F)OC)/C=C(c1ccc(OC)cc1)/C(F)(F)F
• Title of publication: Aggregation induced emission (AIE) of trifluoromethyl substituted distyrylbenzenes
• Authors of publication: Zhenwei Shi; Joshua Davies; Sei-Hum Jang; Werner Kaminsky; Alex Jen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7880
• a: 8.8528 ± 0.0006 Å
• b: 5.7949 ± 0.0004 Å
• c: 23.443 ± 0.0017 Å
• α: 90°
• β: 94.862 ± 0.003°
• γ: 90°
• Cell volume: 1198.32 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No