Information card for entry 4032071

Structure parameters

• Common name: none
• Chemical name: Ethyl 8-ethyl-5-methyl-3-[(3-phenylsydnon-4-yl)-oxomethyl]-indolizine-1-carboxylate
• Formula: C23 H21 N3 O5
• Calculated formula: C23 H21 N3 O5
• SMILES: O1N=N(=C(C1=O)C(=O)c1n2c(ccc(c2c(c1)C(=O)OCC)CC)C)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: 8.9685 ± 0.0005 Å
• b: 10.6487 ± 0.0007 Å
• c: 11.0785 ± 0.0007 Å
• α: 93.48 ± 0.001°
• β: 95.886 ± 0.001°
• γ: 109.306 ± 0.001°
• Cell volume: 988.21 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No