Information card for entry 1508681

Structure parameters

• Formula: C19 H16 N2
• Calculated formula: C19 H16 N2
• SMILES: n1c(c2n(c3ccccc13)c(cc2C)C)c1ccccc1
• Title of publication: Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.
• Authors of publication: Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5090 - 5093
• a: 8.3778 ± 0.0004 Å
• b: 11.2485 ± 0.0006 Å
• c: 15.3805 ± 0.0008 Å
• α: 90°
• β: 103.626 ± 0.003°
• γ: 90°
• Cell volume: 1408.63 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No