Information card for entry 4029580

Structure parameters

• Formula: C23 H26 N2 O5
• Calculated formula: C23 H26 N2 O5
• SMILES: C1(=O)[C@@H](C[C@H]2[C@@H]3c4c(CCN13)c1c(cccc1)n4C(=O)[C@](C2)(C(=O)OCC)O)CC.C1(=O)[C@H](C[C@@H]2[C@H]3c4c(CCN13)c1c(cccc1)n4C(=O)[C@@](C2)(C(=O)OCC)O)CC
• Title of publication: General access to the vinca and tacaman alkaloids using a Rh(II)-catalyzed cyclization/cycloaddition cascade.
• Authors of publication: England, Dylan B.; Padwa, Albert
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2792 - 2802
• a: 9.4327 ± 0.0005 Å
• b: 13.3127 ± 0.0007 Å
• c: 16.31 ± 0.0009 Å
• α: 90°
• β: 97.61 ± 0.002°
• γ: 90°
• Cell volume: 2030.08 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No