Information card for entry 4502717

Structure parameters

• Formula: C60 H63 F6 N14 O8 S2
• Calculated formula: C60 H63 F6 N14 O8 S2
• Title of publication: Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure.
• Authors of publication: Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2010
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 13048 - 13051
• a: 16.9835 ± 0.0006 Å
• b: 22.2688 ± 0.0008 Å
• c: 16.8528 ± 0.0006 Å
• α: 90°
• β: 102.78 ± 0.001°
• γ: 90°
• Cell volume: 6215.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No