Information card for entry 7128837

Structure parameters

• Formula: C29 H26 F10 N2 Zn
• Calculated formula: C29 H26 F10 N2 Zn
• SMILES: [Zn]1([N]2(CCCCC2)C([N]21CCCCC2)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 9.4666 ± 0.0004 Å
• b: 17.7242 ± 0.0007 Å
• c: 16.3037 ± 0.0005 Å
• α: 90°
• β: 96.154 ± 0.003°
• γ: 90°
• Cell volume: 2719.8 ± 0.18 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.1933
• Weighted residual factors for significantly intense reflections: 0.5125
• Weighted residual factors for all reflections included in the refinement: 0.5157
• Goodness-of-fit parameter for all reflections included in the refinement: 2.419
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No