Information card for entry 7236050

Structure parameters

• Formula: C94 H82 N8 O9
• Calculated formula: C94 H56 N8 O9
• Title of publication: Trace amount CuII (ppm) and mixture design of CuII/PdII catalyzed Suzuki cross-coupling reactions based on the cooperative interaction of metal with a conjugated pyridylspirobifluorene
• Authors of publication: Li, Xing; Zhang, Jie; Zhao, Yayun; Zhao, Xiuhua; Li, Feng; Li, Taohai; Li, H. L.; Chen, Liang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 6265
• a: 14.285 ± 0.009 Å
• b: 15.991 ± 0.01 Å
• c: 20.393 ± 0.012 Å
• α: 69.009 ± 0.009°
• β: 71.138 ± 0.008°
• γ: 88.044 ± 0.009°
• Cell volume: 4098 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2907
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.3952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No