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Information card for entry 1508883
Preview
Coordinates | 1508883.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 N O5 |
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Calculated formula | C26 H21 N O5 |
SMILES | c1(ccccc1)C(=O)[C@H]1[C@H](c2ccccc2)[C@@]23COC(=O)[C@@H]2[C@@H](c2ccccc2)ON3O1.c1(ccccc1)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]23COC(=O)[C@H]2[C@H](c2ccccc2)ON3O1 |
Title of publication | Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins. |
Authors of publication | An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 542 - 545 |
a | 11.1729 ± 0.0001 Å |
b | 22.3738 ± 0.0003 Å |
c | 8.8833 ± 0.0001 Å |
α | 90° |
β | 107.866 ± 0.001° |
γ | 90° |
Cell volume | 2113.56 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0314 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1508883.html
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Users of the data should acknowledge the original authors of the
structural data.