Information card for entry 1569801

Structure parameters

• Formula: C32 H58 N2 O4 S4
• Calculated formula: C32 H58 N2 O4 S4
• Title of publication: Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker
• Authors of publication: Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 4344 - 4351
• a: 28.298 ± 0.003 Å
• b: 14.2503 ± 0.0013 Å
• c: 18.839 ± 0.002 Å
• α: 90°
• β: 105.771 ± 0.005°
• γ: 90°
• Cell volume: 7310.9 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.1713
• Residual factor for significantly intense reflections: 0.1553
• Weighted residual factors for significantly intense reflections: 0.3809
• Weighted residual factors for all reflections included in the refinement: 0.3884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No