Information card for entry 4126937

Structure parameters

• Formula: C60 H61 Br5 N2 O10
• Calculated formula: C59.09 H61 Br4.852 N2 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: 11.9944 ± 0.001 Å
• b: 12.931 ± 0.0013 Å
• c: 21.517 ± 0.002 Å
• α: 87.544 ± 0.008°
• β: 76.492 ± 0.006°
• γ: 71.424 ± 0.006°
• Cell volume: 3074.1 ± 0.5 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No