Information card for entry 7053450

Structure parameters

• Formula: C30 H15 As F20 O3
• Calculated formula: C30 H15 As F20 O3
• SMILES: c12ccccc1C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O[As]12(c2ccccc2C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O1)CC(=O)c1ccccc1
• 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: 9.996 ± 0.0001 Å
• b: 12.368 ± 0.0002 Å
• c: 14.945 ± 0.0003 Å
• α: 105.926 ± 0.001°
• β: 105.845 ± 0.001°
• γ: 103.15 ± 0.001°
• Cell volume: 1615.32 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No