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Information card for entry 4116459
Preview
Coordinates | 4116459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21 N O4 |
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Calculated formula | C18 H21 N O4 |
SMILES | O1C(=O)C(=C[C@]1([C@H]1N(CCC1)C(=O)OCc1ccccc1)C)C.O1C(=O)C(=C[C@@]1([C@@H]1N(CCC1)C(=O)OCc1ccccc1)C)C |
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 | 12.162 ± 0.002 Å |
b | 6.282 ± 0.001 Å |
c | 21.198 ± 0.002 Å |
α | 90° |
β | 90.53 ± 0.01° |
γ | 90° |
Cell volume | 1619.5 ± 0.4 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 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 | 0.0919 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections | 0.1153 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Goodness-of-fit parameter for all reflections | 1.052 |
Goodness-of-fit parameter for significantly intense reflections | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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