Information card for entry 4034450

Structure parameters

• Formula: C26 H29 N3 O3
• Calculated formula: C26 H29 N3 O3
• Title of publication: Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.
• Authors of publication: Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 12138 - 12147
• a: 8.8126 ± 0.0002 Å
• b: 14.1981 ± 0.0003 Å
• c: 18.1609 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.33 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0307
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No