Information card for entry 7247832

Structure parameters

• Formula: C4 H9 O11
• Calculated formula: C4 H9 O11
• Title of publication: Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation
• Authors of publication: Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 9695 - 9704
• a: 6.345 ± 0.0006 Å
• b: 7.2323 ± 0.0007 Å
• c: 10.5606 ± 0.001 Å
• α: 94.218 ± 0.002°
• β: 100.28 ± 0.002°
• γ: 97.907 ± 0.002°
• Cell volume: 469.9 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No