Information card for entry 1557262

Structure parameters

• Formula: C21 H21 F O2
• Calculated formula: C21 H21 F O2
• SMILES: Fc1c(/C=C\2c3c(cccc3)[C@](O)([C@@](C2)(C(=O)C)C)C)cccc1
• Title of publication: Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration
• Authors of publication: Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2759 - 2764
• a: 6.512 ± 0.0002 Å
• b: 15.336 ± 0.0003 Å
• c: 8.7541 ± 0.0002 Å
• α: 90°
• β: 111.502 ± 0.003°
• γ: 90°
• Cell volume: 813.41 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No