Information card for entry 7154578

Structure parameters

• Formula: C26 H24 Cl F3
• Calculated formula: C26 H24 Cl F3
• SMILES: Clc1ccc([C@H]2C[C@@](c3c2c(C)cc(C)c3)(c2cc(cc(c2)C)C)C(F)(F)F)cc1.Clc1ccc([C@@H]2C[C@](c3c2c(C)cc(C)c3)(c2cc(cc(c2)C)C)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: 9.335 ± 0.0004 Å
• b: 10.6357 ± 0.0005 Å
• c: 11.4303 ± 0.0005 Å
• α: 73.153 ± 0.004°
• β: 87.926 ± 0.004°
• γ: 76.728 ± 0.004°
• Cell volume: 1056.57 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No