Information card for entry 7131097

Structure parameters

• Common name: indolizine
• Chemical name: Dimethyl 5-methyl-1-phenylindolizine-2,3-dicarboxylate
• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: O(C(=O)c1c(n2c(cccc2c1c1ccccc1)C)C(=O)OC)C
• Title of publication: Microwave-mediated stereocontrolled annulations of diazo(aryl)methyl(diaryl)phosphine oxides with pyridinium 1,4-zwitterionic thiolates.
• Authors of publication: Sun, Simin; Wei, Yuliang; Xu, Jiaxi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 239 - 242
• a: 38.4079 ± 0.0016 Å
• b: 10.3454 ± 0.0005 Å
• c: 7.9044 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140.8 ± 0.3 ų
• Cell temperature: 112.85 ± 0.1 K
• Ambient diffraction temperature: 112.85 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No