Information card for entry 7125636

Structure parameters

• Chemical name: H5-1
• Formula: C91 H131.01 N2 O10
• Calculated formula: C91.67 H125.044 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: 12.1416 ± 0.0003 Å
• b: 18.0125 ± 0.0006 Å
• c: 21.0862 ± 0.0009 Å
• α: 71.058 ± 0.004°
• β: 84.427 ± 0.003°
• γ: 84.478 ± 0.002°
• Cell volume: 4331 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1589
• Residual factor for significantly intense reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.3915
• Weighted residual factors for all reflections included in the refinement: 0.4254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.668
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No