Information card for entry 7128620

Structure parameters

• Formula: C24 H19 N O5 S2
• Calculated formula: C24 H19 N O5 S2
• SMILES: S(=O)(=O)(N1C=C(C(=O)OC)C(c2oc3c(c12)cccc3)c1sccc1)c1ccc(cc1)C
• Title of publication: Diversity-oriented synthesis of benzofuro[3,2-b]pyridine derivatives from aurone-derived α,β-unsaturated imines and activated terminal alkynes.
• Authors of publication: Cheng, Bin; Li, Hui; Zhu, Xuecheng; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Wang, Taimin; Zhai, Hongbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 62
• Pages of publication: 7701 - 7704
• a: 23.6852 ± 0.0007 Å
• b: 10.0753 ± 0.0003 Å
• c: 21.4888 ± 0.0005 Å
• α: 90°
• β: 123.376 ± 0.001°
• γ: 90°
• Cell volume: 4282.3 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1188
• 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