Information card for entry 1564150

Structure parameters

• Formula: C44 H60 N4 O4 S2 Zn2
• Calculated formula: C44 H60 N4 O4 S2 Zn2
• SMILES: [Zn@@]12([O]=[S@@](=O)(N3[Zn@]([O]=[S@@](=O)(N1[C@H]1C[N]2([C@H]1c1ccccc1)[C@@H](C)c1ccccc1)C(C)C)([N]1(C[C@H]3[C@@H]1c1ccccc1)[C@@H](C)c1ccccc1)CC)C(C)C)CC
• Title of publication: Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines
• Authors of publication: Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119767
• a: 9.27344 ± 0.0001 Å
• b: 43.5007 ± 0.0005 Å
• c: 10.82622 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4367.31 ± 0.09 ų
• Cell temperature: 290.69 ± 0.1 K
• Ambient diffraction temperature: 290.69 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No