Information card for entry 7705252

Structure parameters

• Formula: C15 H12 N2
• Calculated formula: C15 H12 N2
• SMILES: n1c(cnc2cc(ccc12)C)c1ccccc1
• Title of publication: Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.
• Authors of publication: Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 13993 - 13998
• a: 9.58 ± 0.002 Å
• b: 4.8156 ± 0.001 Å
• c: 12.595 ± 0.003 Å
• α: 90°
• β: 103.16 ± 0.03°
• γ: 90°
• Cell volume: 565.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No