Information card for entry 1572341

Structure parameters

• Formula: C42 H92 K2 N6 O4 Zn2
• Calculated formula: C42 H92 K2 N6 O4 Zn2
• Title of publication: Combining two relatively weak bases (Zn(TMP)₂ and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.
• Authors of publication: Judge, Neil R.; Hevia, Eva
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14757 - 14765
• a: 10.92429 ± 0.00016 Å
• b: 11.04872 ± 0.00016 Å
• c: 13.15156 ± 0.00019 Å
• α: 112.469 ± 0.0014°
• β: 92.8879 ± 0.0012°
• γ: 107.798 ± 0.0013°
• Cell volume: 1371.22 ± 0.04 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No