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Information card for entry 4028165
Preview
Coordinates | 4028165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 Cl F N2 O2 S |
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Calculated formula | C21 H18 Cl F N2 O2 S |
SMILES | c1cc(c(cc1NC1CN(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C)Cl)F |
Title of publication | Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines |
Authors of publication | Manas K. Ghorai; Y. Nanaji |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 3867 - 3878 |
a | 12.504 ± 0.005 Å |
b | 11.315 ± 0.005 Å |
c | 13.623 ± 0.005 Å |
α | 90 ± 0.005° |
β | 105.513 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1857.2 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0921 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1549 |
Weighted residual factors for all reflections included in the refinement | 0.2129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
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/4028165.html
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Users of the data should acknowledge the original authors of the
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