Information card for entry 1572917

Structure parameters

• Chemical name: 9,10-bis(4?-methoxyphenyl)-9,10-bis(trifluoromethyl)-9,10-dihydroanthracene
• Formula: C30 H22 F6 O2
• Calculated formula: C30 H22 F6 O2
• SMILES: FC(F)(F)[C@]1(c2c(cccc2)[C@](c2c1cccc2)(C(F)(F)F)c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes
• Authors of publication: Wu, Kim Jiayi; Tobin, John M.; Ji, Anli; Shi, Yang; Ye, Chunchun; Nichol, Gary S.; Fuoco, Alessio; Longo, Mariagiulia; Jansen, Johannes C.; McKeown, Neil B.
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 4312 - 4318
• a: 16.1886 ± 0.0017 Å
• b: 9.8424 ± 0.001 Å
• c: 16.2722 ± 0.0019 Å
• α: 90°
• β: 114.734 ± 0.004°
• γ: 90°
• Cell volume: 2354.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No