Information card for entry 7239027

Structure parameters

• Formula: C26 H23 Cl4 Fe O4
• Calculated formula: C26 H23 Cl4 Fe O4
• Title of publication: Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts
• Authors of publication: Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 22
• Pages of publication: 8232
• a: 7.772 ± 0.006 Å
• b: 19.769 ± 0.016 Å
• c: 17.515 ± 0.014 Å
• α: 90°
• β: 92.98 ± 0.01°
• γ: 90°
• Cell volume: 2687 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No