Information card for entry 7135009

Structure parameters

• Formula: C28 H27 N O6 S
• Calculated formula: C28 H27 N O6 S
• Title of publication: Efficient syntheses of 2-amino-4<i>H</i>-pyrans <i>via</i> gold-catalyzed cyclization of diester-tethered ynamides.
• Authors of publication: Zheng, Jianfeng; Xiong, Dong; Ye, Yongqi; Tang, Luhao; Yang, Jiajin; Yang, Zeyu; Cai, Yunfei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16858 - 16861
• a: 10.2849 ± 0.0003 Å
• b: 24.4179 ± 0.0008 Å
• c: 10.3397 ± 0.0003 Å
• α: 90°
• β: 105.642 ± 0.001°
• γ: 90°
• Cell volume: 2500.5 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No