Information card for entry 7151440

Structure parameters

• Common name: CuCl2(1-Np-box)
• Chemical name: 2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dichloride
• Formula: C29 H26 Cl2 Cu N2 O2
• Calculated formula: C29 H26 Cl2 Cu N2 O2
• Title of publication: Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions
• Authors of publication: Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 1953 - 1958
• a: 10.066 ± 0.001 Å
• b: 12.92 ± 0.002 Å
• c: 19.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.1 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No