Information card for entry 4133454

Structure parameters

• Formula: C63 H94 N6 O11
• Calculated formula: C63 H94 N6 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: 12.2367 ± 0.0003 Å
• b: 12.6872 ± 0.0003 Å
• c: 22.0591 ± 0.0005 Å
• α: 96.517 ± 0.001°
• β: 100.607 ± 0.001°
• γ: 113.124 ± 0.001°
• Cell volume: 3029.61 ± 0.13 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0778
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No