Information card for entry 4125659

Structure parameters

• Formula: C63 H86 O12
• Calculated formula: C63 H86 O12
• Title of publication: Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene.
• Authors of publication: Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Bonakala, Satyanarayana; Chong, Samantha Y.; Stephenson, Andrew; Chen, Linjiang; Huang, Feihe; Cooper, Andrew I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 2908 - 2911
• a: 11.9397 ± 0.0009 Å
• b: 21.1861 ± 0.0016 Å
• c: 23.6062 ± 0.0017 Å
• α: 89.286 ± 0.002°
• β: 87.831 ± 0.002°
• γ: 81.84 ± 0.002°
• Cell volume: 5906.5 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No