Information card for entry 1566928

Structure parameters

• Formula: C96 H104 K8 O24 S8
• Calculated formula: C96 H104 K8 O24 S8
• Title of publication: Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures
• Authors of publication: Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 15.1783 ± 0.0013 Å
• b: 6.6961 ± 0.0006 Å
• c: 30.176 ± 0.003 Å
• α: 90°
• β: 104.412 ± 0.003°
• γ: 90°
• Cell volume: 2970.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2414
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No