Information card for entry 4028262

Structure parameters

• Formula: C32 H32 N2
• Calculated formula: C32 H32 N2
• SMILES: c1(ccc2N(Cc3ccccc3)CCCc2c1)c1cc2c(cc1)N(CCC2)Cc1ccccc1
• Title of publication: Synthesis of Benzidine Derivatives via FeCl3.6H2O-Promoted Oxidative Coupling of Anilines
• Authors of publication: Xuege Ling; Yan Xiong; Ruofeng Huang; Xiaohui Zhang; Shuting Zhang; Changguo Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5218 - 5226
• a: 7.577 ± 0.006 Å
• b: 7.621 ± 0.006 Å
• c: 11.472 ± 0.009 Å
• α: 90.963 ± 0.007°
• β: 101.151 ± 0.01°
• γ: 112.377 ± 0.011°
• Cell volume: 598 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No