Information card for entry 7053447

Structure parameters

• Formula: C20 H13 As F12 O3
• Calculated formula: C20 H13 As F12 O3
• SMILES: c12ccccc1C(C(F)(F)F)(C(F)(F)F)O[As]12(c2ccccc2C(C(F)(F)F)(C(F)(F)F)O1)CCO
• Title of publication: Formation of epoxides from pentacoordinated organoarsenic compounds with a β-hydroxyethyl group
• Authors of publication: Jiang, Xin-Dong; Matsukawa, Shiro; Fukuzaki, Yuta; Yamamoto, Yohsuke
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1623
• a: 9.811 ± 0.0001 Å
• b: 17.193 ± 0.0003 Å
• c: 24.807 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.46 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No