Information card for entry 7123686

Structure parameters

• Formula: C27 H34 N2 O8
• Calculated formula: C27 H34 N2 O8
• Title of publication: Adjustable Chiral Self-sorting and Self-discriminating Behaviour between Diamond-like Tröger’s Base-linked Cryptands
• Authors of publication: Chen, Yuan; Qian, Cheng; Zhao, Qian; Cheng, Ming; Dong, Xinran; Zhao, Yue; Jiang, Juli; Wang, Leyong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 33.681 ± 0.011 Å
• b: 13.162 ± 0.005 Å
• c: 11.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5045 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No