Information card for entry 4126940

Structure parameters

• Formula: C61 H50 O10
• Calculated formula: C61 H50 O10
• Title of publication: Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.
• Authors of publication: Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 18.9755 ± 0.0018 Å
• b: 12.7943 ± 0.0012 Å
• c: 21.464 ± 0.002 Å
• α: 90°
• β: 98.717 ± 0.002°
• γ: 90°
• Cell volume: 5150.8 ± 0.8 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 3
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2039
• 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