Information card for entry 7130064

Structure parameters

• Formula: C20 H19 N O5
• Calculated formula: C20 H19 N O5
• 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: 19.2614 ± 0.0016 Å
• b: 5.0789 ± 0.0004 Å
• c: 19.9253 ± 0.0017 Å
• α: 90°
• β: 115.61 ± 0.01°
• γ: 90°
• Cell volume: 1757.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No