Information card for entry 7232496

Structure parameters

• Formula: C12 H13 Br O4
• Calculated formula: C12 H13 Br O4
• Title of publication: Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass
• Authors of publication: Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 2035
• a: 22.3597 ± 0.0005 Å
• b: 5.5295 ± 0.0002 Å
• c: 9.5976 ± 0.0002 Å
• α: 90°
• β: 90.661 ± 0.002°
• γ: 90°
• Cell volume: 1186.55 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No