Information card for entry 7154581

Structure parameters

• Formula: C26 H24 Cl F3 O4
• Calculated formula: C26 H24 Cl F3 O4
• SMILES: Clc1ccc([C@@H]2c3c(cc(OC)c(OC)c3)[C@@](c3cc(OC)c(OC)cc3)(C2)C(F)(F)F)cc1.Clc1ccc([C@H]2c3c(cc(OC)c(OC)c3)[C@](c3cc(OC)c(OC)cc3)(C2)C(F)(F)F)cc1
• Title of publication: Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.
• Authors of publication: Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 8827 - 8842
• a: 8.9801 ± 0.0003 Å
• b: 11.8644 ± 0.0005 Å
• c: 12.6622 ± 0.0006 Å
• α: 64.998 ± 0.004°
• β: 71.043 ± 0.004°
• γ: 80.66 ± 0.003°
• Cell volume: 1155.85 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No