Information card for entry 7108094

Structure parameters

• Common name: ref_3lt
• Chemical name: ref_3lt
• Formula: C24 H16 F6
• Calculated formula: C24 H16 F6
• SMILES: c1cc(ccc1/C=C(c1ccccc1)/C(F)(F)F)/C=C(\c1ccccc1)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: 5.471 ± 0.0016 Å
• b: 7.64 ± 0.002 Å
• c: 23.076 ± 0.007 Å
• α: 90°
• β: 95.405 ± 0.014°
• γ: 90°
• Cell volume: 960.3 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No