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Information card for entry 1506964
Preview
Coordinates | 1506964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H25 N O6 |
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Calculated formula | C20 H25 N O6 |
SMILES | N(=O)(=O)c1ccc(C(=O)O[C@@H]([C@H]2O[C@H](OC)CCC2)C2=CCCCC2)cc1.N(=O)(=O)c1ccc(C(=O)O[C@H]([C@@H]2O[C@@H](OC)CCC2)C2=CCCCC2)cc1 |
Title of publication | Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions. |
Authors of publication | Overman, Larry E.; Velthuisen, Emile J. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 21 |
Pages of publication | 3853 - 3856 |
a | 12.1406 ± 0.0018 Å |
b | 13.1539 ± 0.0019 Å |
c | 12.965 ± 0.0019 Å |
α | 90° |
β | 113.258 ± 0.002° |
γ | 90° |
Cell volume | 1902.2 ± 0.5 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 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 | 0.0695 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1321 |
Weighted residual factors for all reflections included in the refinement | 0.1492 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/1506964.html
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Users of the data should acknowledge the original authors of the
structural data.