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Information card for entry 1502535
Preview
Coordinates | 1502535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 N2 O2 S |
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Calculated formula | C21 H20 N2 O2 S |
SMILES | c1ccccc1C1CN(c2c(cccc2)N1)S(=O)(=O)c1ccc(cc1)C |
Title of publication | Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines. |
Authors of publication | Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 22 |
Pages of publication | 5972 - 5975 |
a | 17.577 ± 0.005 Å |
b | 7.597 ± 0.005 Å |
c | 13.745 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1835.4 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
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/1502535.html
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Users of the data should acknowledge the original authors of the
structural data.