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Information card for entry 4116462
Preview
Coordinates | 4116462.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H19 N O4 |
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Calculated formula | C17 H19 N O4 |
SMILES | O1C(=O)C(=C[C@@H]1[C@@H]1N(CCC1)C(=O)OCc1ccccc1)C.O1C(=O)C(=C[C@H]1[C@H]1N(CCC1)C(=O)OCc1ccccc1)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 | 6.1423 ± 0.0004 Å |
b | 9.9509 ± 0.0008 Å |
c | 13.63 ± 0.001 Å |
α | 74.383 ± 0.007° |
β | 88.256 ± 0.007° |
γ | 73.228 ± 0.006° |
Cell volume | 767.19 ± 0.1 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 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 | 0.0924 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for all reflections | 0.1193 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Goodness-of-fit parameter for all reflections | 0.995 |
Goodness-of-fit parameter for significantly intense reflections | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116462.html
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Users of the data should acknowledge the original authors of the
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