Information card for entry 7151441

Structure parameters

• Common name: CuBr2(1-Np-box)
• Chemical name: 2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dibromide
• Formula: C29 H26 Br2 Cu N2 O2
• Calculated formula: C29 H26 Br2 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: 10.2389 ± 0.0009 Å
• b: 13.089 ± 0.001 Å
• c: 19.466 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.8 ± 0.4 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: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No