Information card for entry 1568195

Structure parameters

• Formula: C7 H10 O4
• Calculated formula: C7 H10 O4
• 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: 8.79278 ± 0.00012 Å
• b: 6.11294 ± 0.00009 Å
• c: 13.39685 ± 0.00018 Å
• α: 90°
• β: 90.4175 ± 0.0012°
• γ: 90°
• Cell volume: 720.058 ± 0.017 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No