Information card for entry 7129604

Structure parameters

• Formula: C67 H64 Cl4 O20
• Calculated formula: C67 H64 Cl4 O20
• Title of publication: Rim-Differentiated Pillar[5]arene Based Nonporous Adaptive Crystals
• Authors of publication: Yao, Yong; Lu, Bing; Yan, Xin; Wang, Jian; Jing, Danni; Bei, Jiali; Cai, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 19.3459 ± 0.0007 Å
• b: 15.9668 ± 0.0006 Å
• c: 21.2957 ± 0.0008 Å
• α: 90°
• β: 95.564 ± 0.003°
• γ: 90°
• Cell volume: 6547.1 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No