Information card for entry 1518713

Structure parameters

• Formula: C23 H27 F3 O3
• Calculated formula: C23 H27 F3 O3
• SMILES: FC(F)(F)c1ccc([C@@H]2[C@H](C3=CC[C@H](C(=C)C)C[C@H]3[C@@](O)(C2)C(=O)OC)C)cc1
• Title of publication: Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.
• Authors of publication: Parr, Brendan T.; Davies, Huw M. L.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 794 - 797
• a: 6.2097 ± 0.0001 Å
• b: 14.9142 ± 0.0002 Å
• c: 23.193 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.97 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No