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Information card for entry 1506763
Preview
Coordinates | 1506763.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H25 N O5 |
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Calculated formula | C17 H25 N O5 |
SMILES | C1[C@@]23C(=O)O[C@@H](C[C@]2([C@H](C=C(C)C)ON=1=O)CCCOC)CC3.C1[C@]23C(=O)O[C@H](C[C@@]2([C@@H](C=C(C)C)ON=1=O)CCCOC)CC3 |
Title of publication | Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters. |
Authors of publication | Denmark, Scott E.; Baiazitov, Ramil Y. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 25 |
Pages of publication | 5617 - 5620 |
a | 21.0502 ± 0.0008 Å |
b | 8.8331 ± 0.0003 Å |
c | 18.6791 ± 0.0006 Å |
α | 90° |
β | 107.3 ± 0.002° |
γ | 90° |
Cell volume | 3316 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.0924 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.873 |
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/1506763.html
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Users of the data should acknowledge the original authors of the
structural data.