Information card for entry 4131649

Structure parameters

• Formula: C61.5 H46 N O13.5 Zn4
• Calculated formula: C61.5 H46 N O13.5 Zn4
• Title of publication: Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.
• Authors of publication: Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 39
• Pages of publication: 13936 - 13943
• a: 29.9603 ± 0.0003 Å
• b: 29.9603 ± 0.0003 Å
• c: 29.9603 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26893 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 200
• Hermann-Mauguin space group symbol: P m -3
• Hall space group symbol: -P 2 2 3
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No