Information card for entry 1564496

Structure parameters

• Formula: C25 H35 N O5
• Calculated formula: C25 H35 N O5
• Title of publication: Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)
• Authors of publication: An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.0067 ± 0.0003 Å
• b: 9.2663 ± 0.0002 Å
• c: 24.1638 ± 0.0008 Å
• α: 90°
• β: 99.36 ± 0.003°
• γ: 90°
• Cell volume: 2431.69 ± 0.12 ų
• Cell temperature: 293.77 ± 0.1 K
• Ambient diffraction temperature: 293.77 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No