Information card for entry 7125635

Structure parameters

• Chemical name: H6-1
• Formula: C101 H158 N2 O10
• Calculated formula: C101 H158 N2 O10
• Title of publication: Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.
• Authors of publication: Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 161 - 164
• a: 12.4095 ± 0.0004 Å
• b: 20.4957 ± 0.0006 Å
• c: 21.0073 ± 0.0015 Å
• α: 112.176 ± 0.008°
• β: 96.805 ± 0.007°
• γ: 98.937 ± 0.007°
• Cell volume: 4795.2 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1549
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No