Information card for entry 7154579

Structure parameters

• Formula: C26 H25 F3
• Calculated formula: C26 H25 F3
• SMILES: FC(F)(F)[C@@]1(c2cc(c(cc2)C)C)c2c([C@@H](c3ccccc3)C1)cc(c(c2)C)C.FC(F)(F)[C@]1(c2cc(c(cc2)C)C)c2c([C@H](c3ccccc3)C1)cc(c(c2)C)C
• 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: 9.177 ± 0.0004 Å
• b: 10.3545 ± 0.0006 Å
• c: 11.2833 ± 0.0005 Å
• α: 76.862 ± 0.004°
• β: 87.228 ± 0.003°
• γ: 75.716 ± 0.004°
• Cell volume: 1011.8 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No