Information card for entry 7131635

Structure parameters

• Formula: C32 H39 N3 O2 S Zn
• Calculated formula: C32 H39 N3 O2 S Zn
• SMILES: [Zn]1([N](CC[N]1(C)C)(C)C)(N(S(=O)(=O)c1ccc(cc1)C)C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Atom-efficient arylation of <i>N</i>-tosylimines mediated by cooperative ZnAr₂/Zn(C₆F₅)₂ combinations.
• Authors of publication: Borys, Andryj M.; Kunzmann, Tim; Gil-Negrete, Jose M; Hevia, Eva
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 49
• Pages of publication: 7583 - 7586
• a: 28.6033 ± 0.0008 Å
• b: 9.8468 ± 0.0003 Å
• c: 23.6134 ± 0.0005 Å
• α: 90°
• β: 94.965 ± 0.003°
• γ: 90°
• Cell volume: 6625.8 ± 0.3 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No