Information card for entry 7111740

Structure parameters

• Formula: C60 H105.52 N34 O33.76 S
• Calculated formula: C60 H105.52 N34 O33.76 S
• Title of publication: Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host
• Authors of publication: Baek, Kangkyun; Kim, Youngkook; Kim, Hyunuk; Yoon, Minyoung; Hwang, Ilha; Ko, Young Ho; Kim, Kimoon
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 4091 - 4093
• a: 13.171 ± 0.003 Å
• b: 20.825 ± 0.004 Å
• c: 15.453 ± 0.003 Å
• α: 90°
• β: 100.8 ± 0.03°
• γ: 90°
• Cell volume: 4163.5 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No