Information card for entry 7231301

Structure parameters

• Formula: C47 H42 N2 O14 Zn2
• Calculated formula: C47 H42 N2 O14 Zn2
• Title of publication: Asymmetric ring-opening reaction of meso-epoxides with aromatic amines using homochiral metal‒organic frameworks as recyclable heterogeneous catalysts
• Authors of publication: Tanaka, Koichi; Kinoshita, Maya; Kayahara, Jun; Uebayashi, Yutaro; Nakaji, Kazusada; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 49
• Pages of publication: 28139
• a: 10.2719 ± 0.0002 Å
• b: 16.6231 ± 0.0003 Å
• c: 19.0321 ± 0.0004 Å
• α: 90°
• β: 98.982 ± 0.001°
• γ: 90°
• Cell volume: 3209.9 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No