Information card for entry 2221598

Structure parameters

• Chemical name: 1-Nitro-2,3-di-2-pyridyl-2,3-dihydroindolizine
• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O=N(=O)C1[C@H]([C@@H](n2c=1cccc2)c1ncccc1)c1ncccc1.O=N(=O)C1[C@@H]([C@H](n2c=1cccc2)c1ncccc1)c1ncccc1
• Title of publication: 1-Nitro-2,3-di-2-pyridyl-2,3-dihydroindolizine
• Authors of publication: Schulz, Martin; Kloubert, Tobias; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o957
• a: 28.0688 ± 0.0019 Å
• b: 7.9672 ± 0.0006 Å
• c: 21.1859 ± 0.0015 Å
• α: 90°
• β: 131.408 ± 0.004°
• γ: 90°
• Cell volume: 3553.4 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes