Information card for entry 7126782

Structure parameters

• Formula: C125 H130 O40 S10
• Calculated formula: C125 H130 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: 21.5402 ± 0.0002 Å
• b: 22.7876 ± 0.0002 Å
• c: 28.6846 ± 0.0002 Å
• α: 90°
• β: 97.979 ± 0.001°
• γ: 90°
• Cell volume: 13943.5 ± 0.2 ų
• Cell temperature: 199.97 ± 0.13 K
• Ambient diffraction temperature: 199.97 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No