Information card for entry 4026808

Structure parameters

• Formula: C23 H29 N O6
• Calculated formula: C23 H29 N O6
• SMILES: [C@@]123C(=C(C(=O)[C@]41C(=C(C(=O)O4)C)OC)C)CCCCN3[C@@H](CC2)[C@@H]1C[C@@H](C(=O)O1)C.[C@]123C(=C(C(=O)[C@@]41C(=C(C(=O)O4)C)OC)C)CCCCN3[C@H](CC2)[C@H]1C[C@H](C(=O)O1)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: 7.228 ± 0.0006 Å
• b: 10.2719 ± 0.0008 Å
• c: 15.1769 ± 0.0011 Å
• α: 99.413 ± 0.005°
• β: 99.406 ± 0.004°
• γ: 103.506 ± 0.004°
• Cell volume: 1056.75 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1367
• 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