Information card for entry 7156117

Structure parameters

• Formula: C55 H56 N4 O12
• Calculated formula: C55 H56 N4 O12
• Title of publication: Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.
• Authors of publication: Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 2028 - 2032
• a: 21.1 ± 0.0011 Å
• b: 23.1109 ± 0.0012 Å
• c: 23.201 ± 0.0012 Å
• α: 90°
• β: 112.784 ± 0.002°
• γ: 90°
• Cell volume: 10430.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No