Information card for entry 1572340

Structure parameters

• Formula: C46 H76 K2 N2 O10 Zn2
• Calculated formula: C46 H76 K2 N2 O10 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: 18.3733 ± 0.0003 Å
• b: 15.7455 ± 0.0003 Å
• c: 18.5165 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5356.76 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No