Information card for entry 7205158

Structure parameters

• Formula: C112 H146 N16 O27 S8
• Calculated formula: C104 H130 N16 O25 S8
• Title of publication: Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes
• Authors of publication: Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 259
• a: 14.9385 ± 0.0005 Å
• b: 25.0431 ± 0.0008 Å
• c: 15.9995 ± 0.0005 Å
• α: 90°
• β: 91.281 ± 0.002°
• γ: 90°
• Cell volume: 5984 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No