Information card for entry 7128839

Structure parameters

• Formula: C102 H126 O16 Zn14
• Calculated formula: C102 H126 O16 Zn14
• 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: 12.8055 ± 0.0005 Å
• b: 14.5382 ± 0.001 Å
• c: 16.1933 ± 0.001 Å
• α: 66.616 ± 0.006°
• β: 75.238 ± 0.004°
• γ: 85.544 ± 0.004°
• Cell volume: 2674.8 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2263
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No