Information card for entry 7206349

Structure parameters

• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• SMILES: c1ccc2C(c3ccccc3C#Cc3ccccc3)Nc3c(cccc3)n12
• Title of publication: Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water
• Authors of publication: Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K.
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1640
• a: 9.309 ± 0.005 Å
• b: 28.239 ± 0.005 Å
• c: 7.304 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.501 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1874.5 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No