Information card for entry 1568194

Structure parameters

• Formula: C7 H10 O3 S
• Calculated formula: C7 H10 O3 S
• 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: 12.599 ± 0.0003 Å
• b: 6.90114 ± 0.00015 Å
• c: 18.8705 ± 0.0005 Å
• α: 90°
• β: 102.949 ± 0.003°
• γ: 90°
• Cell volume: 1599.02 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No