Information card for entry 7127838

Structure parameters

• Formula: C126 H158 N2 O28 S2
• Calculated formula: C126 H158 N2 O28 S2
• Title of publication: Translational isomers of <i>N</i>-sulfonylated [3]catenane: synthesis and isomerization.
• Authors of publication: Iwamoto, Hajime; Ishizu, Yuki; Hasegawa, Eietsu; Sekiya, Ryo; Haino, Takeharu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 15
• Pages of publication: 1915 - 1918
• a: 11.663 ± 0.012 Å
• b: 12.52 ± 0.013 Å
• c: 21.3 ± 0.02 Å
• α: 78.986 ± 0.013°
• β: 76.432 ± 0.015°
• γ: 85.801 ± 0.012°
• Cell volume: 2966 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1415
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.451
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No