Information card for entry 7130060

Structure parameters

• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• Title of publication: A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine
• Authors of publication: Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.9211 ± 0.0006 Å
• b: 7.5981 ± 0.0003 Å
• c: 17.16 ± 0.001 Å
• α: 90°
• β: 109.38 ± 0.006°
• γ: 90°
• Cell volume: 1466.24 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No