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Information card for entry 1506127
Preview
Coordinates | 1506127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 N O5 |
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Calculated formula | C19 H25 N O5 |
SMILES | N1(C(=O)[C@@H]([C@]2(CCC[C@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC.N1(C(=O)[C@H]([C@@]2(CCC[C@@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC |
Title of publication | Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant. |
Authors of publication | Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 17 |
Pages of publication | 3729 - 3732 |
a | 11.8348 ± 0.0005 Å |
b | 6.7889 ± 0.0003 Å |
c | 21.2326 ± 0.0011 Å |
α | 90° |
β | 93.852 ± 0.003° |
γ | 90° |
Cell volume | 1702.09 ± 0.14 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0729 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for all reflections | 0.1351 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1506127.html
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