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Information card for entry 1502338
Preview
Coordinates | 1502338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H33 Br N2 O4 S |
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Calculated formula | C29 H33 Br N2 O4 S |
SMILES | c1cc(C)ccc1S(=O)(=O)N[C@@H](CCCC)[C@@H](c1ccccc1)[C@H](C#N)c1c(cc(c(c1)OC)OC)Br.c1cc(C)ccc1S(=O)(=O)N[C@H](CCCC)[C@H](c1ccccc1)[C@@H](C#N)c1c(cc(c(c1)OC)OC)Br |
Title of publication | Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines. |
Authors of publication | Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K. |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 4256 - 4259 |
a | 11.004 ± 0.004 Å |
b | 11.586 ± 0.005 Å |
c | 12.288 ± 0.006 Å |
α | 93.336 ± 0.007° |
β | 101.165 ± 0.006° |
γ | 114.297 ± 0.005° |
Cell volume | 1384.1 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1554 |
Weighted residual factors for all reflections included in the refinement | 0.1966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/1502338.html
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Users of the data should acknowledge the original authors of the
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