Information card for entry 1564151

Structure parameters

• Formula: C52 H60 N4 O4 S2 Zn2
• Calculated formula: C52 H60 N4 O4 S2 Zn2
• SMILES: C(C)[Zn@]12N([C@H]3C[N]1([C@H]3c1ccccc1)[C@@H](C)c1ccccc1)S(c1ccc(C)cc1)(=[O][Zn@@]1(CC)N([C@H]3C[N]1([C@H]3c1ccccc1)[C@@H](C)c1ccccc1)S(c1ccc(C)cc1)(=[O]2)=O)=O
• 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: 11.5916 ± 0.0002 Å
• b: 11.5916 ± 0.0002 Å
• c: 34.5612 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4021.67 ± 0.11 ų
• Cell temperature: 290.73 ± 0.1 K
• Ambient diffraction temperature: 290.73 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No