Information card for entry 4128875

Structure parameters

• Formula: C20 H28 N O2.5
• Calculated formula: C20 H28 N O2.5
• Title of publication: Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.
• Authors of publication: Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 35
• Pages of publication: 13718 - 13723
• a: 12.1921 ± 0.0003 Å
• b: 15.8104 ± 0.0004 Å
• c: 17.6415 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3400.61 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No