Information card for entry 4117848

Structure parameters

• Formula: C92 H112 N8 O6 Zn2
• Calculated formula: C92 H110 N8 O6 Zn2
• Title of publication: A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation
• Authors of publication: Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6904 - 6907
• a: 11.9695 ± 0.0002 Å
• b: 12.97 ± 0.0002 Å
• c: 15.5683 ± 0.0003 Å
• α: 74.963 ± 0.001°
• β: 82.105 ± 0.001°
• γ: 67.243 ± 0.001°
• Cell volume: 2150.57 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No