Information card for entry 7128836

Structure parameters

• Formula: C28 H32 O4 Zn4
• Calculated formula: C28 H32 O4 Zn4
• SMILES: [Zn]12([O]3([Zn]4([O]2([Zn]2([O]1([Zn]3([O]42C)c1ccccc1)C)c1ccccc1)C)c1ccccc1)C)c1ccccc1
• 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: 13.63748 ± 0.00012 Å
• b: 16.05559 ± 0.00014 Å
• c: 13.67121 ± 0.00012 Å
• α: 90°
• β: 90.1859 ± 0.0008°
• γ: 90°
• Cell volume: 2993.4 ± 0.05 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No