Information card for entry 7118335

Structure parameters

• Chemical name: 7?AcOH
• Formula: C70 H68 N4 O7 Zn2
• Calculated formula: C70 H68 N4 O7 Zn2
• Title of publication: Topologically diverse shape-persistent bis-(Zn-salphen) catalysts: efficient cyclic carbonate formation under mild conditions.
• Authors of publication: He, Shixiong; Wang, Fuli; Tong, Wah-Leung; Yiu, Shek-Man; Chan, Michael C. W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1017 - 1020
• a: 17.8685 ± 0.0002 Å
• b: 23.0557 ± 0.0002 Å
• c: 18.5326 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7634.89 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No