Information card for entry 1508680

Structure parameters

• Formula: C18 H15 N2 O0.5
• Calculated formula: C18 H15 N2 O0.5
• 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: 23.4787 ± 0.0018 Å
• b: 6.9212 ± 0.0006 Å
• c: 16.9815 ± 0.0012 Å
• α: 90°
• β: 107.401 ± 0.003°
• γ: 90°
• Cell volume: 2633.2 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No