Information card for entry 4032070

Structure parameters

• Common name: none
• Chemical name: 6-ethyl-2-(3-phenylsydnon-4-yl)indolizine
• Formula: C18 H15 N3 O2
• Calculated formula: C18 H15 N3 O2
• SMILES: O1N=N(=C(C1=O)c1cn2cc(ccc2c1)CC)c1ccccc1
• Title of publication: Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis
• Authors of publication: Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 2503
• a: 11.7917 ± 0.0005 Å
• b: 7.5448 ± 0.0003 Å
• c: 17.661 ± 0.0008 Å
• α: 90°
• β: 101.754 ± 0.002°
• γ: 90°
• Cell volume: 1538.28 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0685
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No