Information card for entry 1564494

Structure parameters

• Formula: C24 H33 N O5
• Calculated formula: C24 H33 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: 9.3272 ± 0.0003 Å
• b: 10.7693 ± 0.0003 Å
• c: 12.3819 ± 0.0003 Å
• α: 90°
• β: 108.361 ± 0.003°
• γ: 90°
• Cell volume: 1180.41 ± 0.06 ų
• Cell temperature: 225 ± 50 K
• Ambient diffraction temperature: 225 ± 50 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No