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Information card for entry 4025901
Preview
Coordinates | 4025901.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N O3 S |
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Calculated formula | C18 H19 N O3 S |
SMILES | S(=O)(=O)(N1c2c(cccc2)O[C@H]2[C@H]1CCC2)c1ccc(cc1)C.S(=O)(=O)(N1c2c(cccc2)O[C@@H]2[C@@H]1CCC2)c1ccc(cc1)C |
Title of publication | Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes |
Authors of publication | Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 8533 - 8541 |
a | 10.7629 ± 0.001 Å |
b | 9.5687 ± 0.0009 Å |
c | 16.1405 ± 0.0015 Å |
α | 90° |
β | 104.848 ± 0.002° |
γ | 90° |
Cell volume | 1606.8 ± 0.3 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 | 0.0753 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1622 |
Weighted residual factors for all reflections included in the refinement | 0.1751 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025901.html
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Users of the data should acknowledge the original authors of the
structural data.