Information card for entry 7239025

Structure parameters

• Formula: C24 H19 Cl4 Fe O2
• Calculated formula: C24 H19 Cl4 Fe O2
• 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: 13.319 ± 0.006 Å
• b: 18.375 ± 0.007 Å
• c: 19.555 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4786 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0819
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No