Information card for entry 1569802

Structure parameters

• Formula: C29 H52 N2 O4 S4
• Calculated formula: C29 H52 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: 28.46 ± 0.002 Å
• b: 45.626 ± 0.003 Å
• c: 23.4507 ± 0.0017 Å
• α: 90°
• β: 91.944 ± 0.003°
• γ: 90°
• Cell volume: 30434 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No