Information card for entry 1566926

Structure parameters

• Formula: C40 H58 Li2 O10 S2
• Calculated formula: C40 H58 Li2 O10 S2
• 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: 11.2936 ± 0.0006 Å
• b: 21.8827 ± 0.001 Å
• c: 17.1083 ± 0.0007 Å
• α: 90°
• β: 94.544 ± 0.002°
• γ: 90°
• Cell volume: 4214.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No