Information card for entry 7050854

Structure parameters

• Formula: C31 H32 N4 O6 S2 Zn
• Calculated formula: C31 H32 N4 O6 S2 Zn
• SMILES: [Zn]123N(S(=O)(=O)c4ccc(C)cc4)c4ccccc4C=[N]1CC(O)C[N]2=Cc1ccccc1N3S(=O)(=O)c1ccc(cc1)C.O
• Title of publication: Zinc and cadmium complexes with an achiral symmetric helicand. Crystal structure of an enantiomerically pure Λ-Zn(II) monohelicate
• Authors of publication: Manuel R. Bermejo; Miguel Vázquez; Jesús Sanmartín; Ana M. García-Deibe; Matilde Fondo; Carlos Lodeiro
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1365 - 1370
• a: 9.127 ± 0.003 Å
• b: 16.83 ± 0.003 Å
• c: 20.558 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3157.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1165
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No