Information card for entry 1504220

Structure parameters

• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• SMILES: O(c1c(OC)cc2CCN3[C@@]4(c2c1)CCCC(=O)[C@H]4CC3=O)C.O(c1c(OC)cc2CCN3[C@]4(c2c1)CCCC(=O)[C@@H]4CC3=O)C
• Title of publication: Efficient formal total synthesis of the erythrina alkaloid (+)-erysotramidine, using a domino process.
• Authors of publication: Tietze, Lutz F.; Tölle, Nina; Kratzert, Daniel; Stalke, Dietmar
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5230 - 5233
• a: 10.762 ± 0.003 Å
• b: 12.294 ± 0.004 Å
• c: 11.66 ± 0.004 Å
• α: 90°
• β: 106.56 ± 0.005°
• γ: 90°
• Cell volume: 1478.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No