Information card for entry 1555062

Structure parameters

• Formula: C23 H19 F3
• Calculated formula: C23 H19 F3
• SMILES: FC(F)(F)[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)c2cc(ccc12)C.FC(F)(F)[C@]1(c2ccccc2)C[C@H](c2ccccc2)c2cc(ccc12)C
• Title of publication: TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes
• Authors of publication: Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3264
• a: 10.7304 ± 0.0004 Å
• b: 18.6098 ± 0.0005 Å
• c: 9.9301 ± 0.0004 Å
• α: 90°
• β: 115.595 ± 0.004°
• γ: 90°
• Cell volume: 1788.36 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No