Information card for entry 4133458

Structure parameters

• Formula: C63 H89 N3 O11
• Calculated formula: C63 H89 N3 O11
• 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: 12.2429 ± 0.0006 Å
• b: 12.5858 ± 0.0007 Å
• c: 22.187 ± 0.0009 Å
• α: 96.046 ± 0.004°
• β: 101.187 ± 0.004°
• γ: 114.345 ± 0.005°
• Cell volume: 2989.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.111
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No