Information card for entry 2222612

Structure parameters

• Chemical name: 3-Chloro-4-hydroxyfuran-2(5<i>H</i>)-one
• Formula: C4 H3 Cl O3
• Calculated formula: C4 H3 Cl O3
• Title of publication: 3-Chloro-4-hydroxyfuran-2(5<i>H</i>)-one
• Authors of publication: Zhang, Na; Wu, Zhen-Yi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1977
• a: 12.0437 ± 0.0006 Å
• b: 6.5453 ± 0.0004 Å
• c: 6.3886 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 503.61 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes