Information card for entry 7057505

Structure parameters

• Formula: C30 H33 Cl2 Cu N4 O8
• Calculated formula: C30 H33 Cl2 Cu N4 O8
• Title of publication: Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction
• Authors of publication: Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 12072
• a: 19.0262 ± 0.0008 Å
• b: 12.6963 ± 0.0008 Å
• c: 13.6195 ± 0.0008 Å
• α: 90°
• β: 97.93 ± 0.02°
• γ: 90°
• Cell volume: 3258.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No