Information card for entry 4126934

Structure parameters

• Formula: C61 H65 O10
• Calculated formula: C61 H74 O10
• SMILES: O(c1c2cc(OC)c(Cc3cc(OC)c(Cc4c(OCC=C)cc(c(OC)c4)Cc4cc(OC)c(Cc5cc(OC)c(C2)cc5OCC=C)cc4OCC=C)cc3OCC=C)c1)CC=C.C(CCC)CC
• 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: 11.8432 Å
• b: 12.2389 Å
• c: 21.2355 Å
• α: 81.873°
• β: 76.172°
• γ: 64.056°
• Cell volume: 2685.23 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 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: 0.106
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No