Information card for entry 7126684

Structure parameters

• Formula: C25 H19 N O5 S
• Calculated formula: C25 H19 N O5 S
• SMILES: S(C(=O)c1ccc(c2ccccc2)cc1)c1c(c(n2c1cccc2)C(=O)OC)C(=O)OC
• Title of publication: Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and α-functionalized bromoalkanes via a stepwise [(5+1)-1] pathway.
• Authors of publication: Cheng, Bin; Zhang, Xinping; Li, Yuntong; Li, Hui; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 60
• Pages of publication: 8396 - 8399
• a: 9.2626 ± 0.0005 Å
• b: 10.0278 ± 0.0006 Å
• c: 12.623 ± 0.0007 Å
• α: 77.431 ± 0.005°
• β: 89.378 ± 0.004°
• γ: 73.685 ± 0.005°
• Cell volume: 1096.71 ± 0.11 ų
• Cell temperature: 293.63 ± 0.13 K
• Ambient diffraction temperature: 293.63 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No