Information card for entry 4515190

Structure parameters

• Formula: C160 H164 N5 O28
• Calculated formula: C160 H164 N5 O28
• Title of publication: Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water
• Authors of publication: Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 111
• a: 11.7229 ± 0.0007 Å
• b: 16.091 ± 0.0008 Å
• c: 19.5838 ± 0.0011 Å
• α: 83.814 ± 0.005°
• β: 74.318 ± 0.005°
• γ: 87.882 ± 0.005°
• Cell volume: 3535.8 ± 0.4 ų
• Cell temperature: 149.8 K
• Ambient diffraction temperature: 149.8 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: 0.1188
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No