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Information card for entry 1545455
Preview
Coordinates | 1545455.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H13 N O3 S |
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Calculated formula | C15 H13 N O3 S |
SMILES | S(=O)(=O)(C1c2ccccc2NC1=O)c1ccc(C)cc1 |
Title of publication | Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides. |
Authors of publication | Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 4 |
Pages of publication | 774 - 777 |
a | 12.6933 ± 0.0004 Å |
b | 7.6526 ± 0.0002 Å |
c | 15.0369 ± 0.0005 Å |
α | 90° |
β | 113.961 ± 0.002° |
γ | 90° |
Cell volume | 1334.76 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0468 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0963 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation probe | x-ray |
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/1545455.html
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