Information card for entry 7133288

Structure parameters

• Formula: C25 H27 N O5 S
• Calculated formula: C25 H27 N O5 S
• Title of publication: Pd-catalyzed 5-<i>exo-dig</i> cyclization/etherification cascade of <i>N</i>-propargyl arylamines for the synthesis of polysubstituted furans.
• Authors of publication: Li, Meng-Ru; Zheng, Meng-Yao; Wang, Dong-Chao; Guo, Hai-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 60
• Pages of publication: 7721 - 7724
• a: 10.6593 ± 0.0004 Å
• b: 11.0723 ± 0.0005 Å
• c: 11.354 ± 0.0005 Å
• α: 90.428 ± 0.004°
• β: 111.448 ± 0.004°
• γ: 105.959 ± 0.004°
• Cell volume: 1190.4 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0541
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No