Information card for entry 1557119

Structure parameters

• Formula: C32 H16 F8
• Calculated formula: C32 H16 F8
• SMILES: Fc1cc(C2=C3C(=C(CC2)c2cc(F)cc(F)c2)C(=C3c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc(F)c1
• Title of publication: A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
• Authors of publication: Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 2051 - 2057
• a: 10.7497 ± 0.0005 Å
• b: 11.175 ± 0.0004 Å
• c: 11.5688 ± 0.0003 Å
• α: 96.962 ± 0.002°
• β: 96.945 ± 0.003°
• γ: 116.711 ± 0.004°
• Cell volume: 1207.93 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No