Information card for entry 7206348

Structure parameters

• Common name: pyrrolo(2,1-a)quinoxaline'
• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• SMILES: c1ccc2C3c4ccccc4C=C(c4ccccc4)N3c3ccccc3n12
• 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: 8.8589 ± 0.0003 Å
• b: 10.2068 ± 0.0004 Å
• c: 11.4469 ± 0.0004 Å
• α: 64.251 ± 0.004°
• β: 84.5 ± 0.003°
• γ: 74.527 ± 0.003°
• Cell volume: 898.24 ± 0.07 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: 0.0465
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No