Information card for entry 4126459

Structure parameters

• Formula: C24 H16 I2
• Calculated formula: C24 H16 I2
• SMILES: Ic1c(c2c(cccc2)c2c(cccc2)c2c(I)cccc2)cccc1
• Title of publication: Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.
• Authors of publication: Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.0119 ± 0.0002 Å
• b: 20.7384 ± 0.0003 Å
• c: 10.2015 ± 0.0002 Å
• α: 90°
• β: 106.42 ± 0.002°
• γ: 90°
• Cell volume: 2031.76 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No