Information card for entry 4128871

Structure parameters

• Formula: C25 H35 N O3
• Calculated formula: C25 H35 N O3
• 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: 11.5553 ± 0.0005 Å
• b: 21.4201 ± 0.0009 Å
• c: 26.2735 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6503.1 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.96 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2648
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No