Information card for entry 2221548

Structure parameters

• Chemical name: Pyrazino[2,3-b]indolizine-10-carbonitrile
• Formula: C11 H6 N4
• Calculated formula: C11 H6 N4
• SMILES: n12ccccc1c(c1nccnc21)C#N
• Title of publication: Pyrazino[2,3-<i>b</i>]indolizine-10-carbonitrile
• Authors of publication: Stefańska, Anita; Zarzeczańska, Dorota; Ossowski, Tadeusz; Sikorski, Artur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o772 - o773
• a: 3.8515 ± 0.0005 Å
• b: 14.147 ± 0.002 Å
• c: 16.606 ± 0.003 Å
• α: 90°
• β: 91.26 ± 0.014°
• γ: 90°
• Cell volume: 904.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes