Information card for entry 1572942

Structure parameters

• Formula: C11 H10 O2 S2
• Calculated formula: C11 H10 O2 S2
• Title of publication: Monomer centred selectivity guidelines in sulfurated ring-opening copolymerisations
• Authors of publication: Stühler, Merlin R.; Kreische, Marie; Fornacon-Wood, Christoph; Rupf, Susanne M.; Langer, Robert; Plajer, Alex Johannes
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 8.5111 ± 0.0003 Å
• b: 11.2673 ± 0.0004 Å
• c: 12.0154 ± 0.0005 Å
• α: 90.902 ± 0.002°
• β: 99.837 ± 0.002°
• γ: 110.12 ± 0.002°
• Cell volume: 1062.56 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No