Information card for entry 1502366

Structure parameters

• Formula: C24 H18 N2
• Calculated formula: C24 H18 N2
• SMILES: c12ccccc1nc(c(c1ccc(cc1)C)n2)C#Cc1ccc(cc1)C
• Title of publication: Copper-catalyzed synthesis of quinoxalines with o-phenylenediamine and terminal alkyne in the presence of bases.
• Authors of publication: Wang, Wen; Shen, Yongwen; Meng, Xu; Zhao, Mingming; Chen, Yongxin; Chen, Baohua
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4514 - 4517
• a: 10.102 ± 0.01 Å
• b: 10.247 ± 0.01 Å
• c: 10.715 ± 0.01 Å
• α: 67.098 ± 0.012°
• β: 63.868 ± 0.013°
• γ: 77.085 ± 0.013°
• Cell volume: 915.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2653
• Residual factor for significantly intense reflections: 0.1396
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No