Information card for entry 7128838

Structure parameters

• Formula: C35 H20 F20 O4 Zn4
• Calculated formula: C35 H20 F20 O4 Zn4
• SMILES: [Zn]12([O]3(C)[Zn]4([O]5(C)[Zn]([O]1(C)[Zn]35c1c(F)c(F)c(F)c(F)c1F)([O]24C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)C
• Title of publication: Atom-efficient transition-metal-free arylation of <i>N</i>,<i>O</i>-acetals using diarylzinc reagents through Zn/Zn cooperativity.
• Authors of publication: Borys, Andryj M.; Gil-Negrete, Jose M; Hevia, Eva
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8905 - 8908
• a: 10.1787 ± 0.0001 Å
• b: 10.3481 ± 0.0002 Å
• c: 19.0323 ± 0.0003 Å
• α: 85.652 ± 0.001°
• β: 82.545 ± 0.001°
• γ: 84.931 ± 0.001°
• Cell volume: 1975.75 ± 0.05 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No