Information card for entry 7126783

Structure parameters

• Formula: C135 H146 N2 O41 S10
• Calculated formula: C131 H138 N2 O40 S10
• Title of publication: Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.
• Authors of publication: Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8739 - 8742
• a: 14.98554 ± 0.00016 Å
• b: 18.2946 ± 0.0002 Å
• c: 28.2056 ± 0.0002 Å
• α: 103.655 ± 0.0009°
• β: 90.0967 ± 0.0008°
• γ: 113.613 ± 0.0011°
• Cell volume: 6844.65 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0754
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No