Information card for entry 4117967

Structure parameters

• Formula: C65 H90 O10
• Calculated formula: C65 H90 O10
• Title of publication: Pillar[6]arene-Based Photoresponsive Host-Guest Complexation
• Authors of publication: Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8711 - 8717
• a: 12.1787 ± 0.0004 Å
• b: 13.9544 ± 0.0005 Å
• c: 20.7259 ± 0.0007 Å
• α: 80.666 ± 0.003°
• β: 83.051 ± 0.003°
• γ: 81.95 ± 0.003°
• Cell volume: 3424 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0932
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No