Information card for entry 4038313

Structure parameters

• Formula: C21 H21 N O3
• Calculated formula: C21 H21 N O3
• Title of publication: De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids
• Authors of publication: Horwitz, Matthew A.; Robins, Jacob G.; Johnson, Jeffrey S.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 13.9604 ± 0.0003 Å
• b: 11.1296 ± 0.0002 Å
• c: 11.0998 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.62 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No