Information card for entry 7159305

Structure parameters

• Formula: C16 H13 N3 O
• Calculated formula: C16 H13 N3 O
• Title of publication: Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.
• Authors of publication: Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 3881 - 3895
• a: 8.7205 ± 0.0014 Å
• b: 13.737 ± 0.003 Å
• c: 11.3839 ± 0.0019 Å
• α: 90°
• β: 100.158 ± 0.016°
• γ: 90°
• Cell volume: 1342.3 ± 0.4 ų
• Cell temperature: 293.9 ± 0.7 K
• Ambient diffraction temperature: 293.9 ± 0.7 K
• Number of distinct elements: 4
• 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: 0.1816
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No