Information card for entry 4026807

Structure parameters

• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: C1(=O)CCCC2=C(C(=O)[C@@]3([C@]42CC[C@@H](C=C)N14)C(=C(C(=O)O3)C)OC)C.C1(=O)CCCC2=C(C(=O)[C@]3([C@@]42CC[C@H](C=C)N14)C(=C(C(=O)O3)C)OC)C
• 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: 22.9 ± 0.03 Å
• b: 9.06 ± 0.011 Å
• c: 18.57 ± 0.02 Å
• α: 90°
• β: 90.78 ± 0.04°
• γ: 90°
• Cell volume: 3852 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No