Information card for entry 7054133

Structure parameters

• Formula: C32 H34 Cu N2 O4
• Calculated formula: C32 H34 Cu N2 O4
• Title of publication: Enantioselective catalysts for the Henry reaction: fine-tuning the catalytic components
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.; Zampese, Jennifer A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2166
• a: 20.1947 ± 0.0008 Å
• b: 14.0122 ± 0.0008 Å
• c: 9.4085 ± 0.0005 Å
• α: 90°
• β: 96.926 ± 0.004°
• γ: 90°
• Cell volume: 2642.9 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections included in the refinement: 0.0265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No