Information card for entry 1568191

Structure parameters

• Formula: C7 H8 O2 S2
• Calculated formula: C7 H8 O2 S2
• Title of publication: Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties
• Authors of publication: Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 623 - 632
• a: 6.24 ± 0.0003 Å
• b: 7.3164 ± 0.0004 Å
• c: 17.7083 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808.46 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No