Information card for entry 7128621

Structure parameters

• Formula: C30 H25 N O7 S
• Calculated formula: C30 H25 N O7 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)CC(C(=O)OC)c1nc2c(oc3c2cccc3)c(c1C(=O)OC)c1ccccc1
• 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: 11.3915 ± 0.0005 Å
• b: 11.6757 ± 0.0004 Å
• c: 12.0576 ± 0.0005 Å
• α: 70.795 ± 0.002°
• β: 64.171 ± 0.001°
• γ: 74.407 ± 0.002°
• Cell volume: 1348.22 ± 0.1 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 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: 0.0584
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No