Information card for entry 4026806

Structure parameters

• Formula: C20 H25 N O6
• Calculated formula: C20 H25 N O6
• SMILES: [C@@]1(C(=O)C(=C2CCCC(=O)N3[C@]12CC[C@@H]3C=C)C)(C(=O)OC)OC(=O)CC.[C@]1(C(=O)C(=C2CCCC(=O)N3[C@@]12CC[C@H]3C=C)C)(C(=O)OC)OC(=O)CC
• Title of publication: Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine
• Authors of publication: Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 10173 - 10186
• a: 7.721 ± 0.008 Å
• b: 13.669 ± 0.014 Å
• c: 18.145 ± 0.018 Å
• α: 90°
• β: 92.817 ± 0.01°
• γ: 90°
• Cell volume: 1913 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1769
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No