Information card for entry 4133456

Structure parameters

• Formula: C60 H83 N3 O10.5
• Calculated formula: C60 H83 N3 O10.5
• Title of publication: Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.
• Authors of publication: Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 15070 - 15079
• a: 18.251 ± 0.002 Å
• b: 12.4803 ± 0.0013 Å
• c: 25.254 ± 0.003 Å
• α: 90°
• β: 94.868 ± 0.01°
• γ: 90°
• Cell volume: 5731.6 ± 1.1 ų
• Cell temperature: 154.7 K
• Ambient diffraction temperature: 154.7 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2155
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2672
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No