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Information card for entry 4116461
Preview
| Coordinates | 4116461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 N O4 |
|---|---|
| Calculated formula | C17 H19 N O4 |
| Title of publication | Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine |
| Authors of publication | Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 6990 - 6997 |
| a | 6.34 ± 0.0005 Å |
| b | 12.796 ± 0.001 Å |
| c | 9.4006 ± 0.0006 Å |
| α | 90° |
| β | 101.502 ± 0.006° |
| γ | 90° |
| Cell volume | 747.32 ± 0.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections | 0.1047 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Goodness-of-fit parameter for all reflections | 1.047 |
| Goodness-of-fit parameter for significantly intense reflections | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.