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Information card for entry 7154739
Preview
Coordinates | 7154739.cif |
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Original paper (by DOI) | HTML |
Common name | 3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile |
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Chemical name | 3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile |
Formula | C24 H18 Cl N3 O3 S |
Calculated formula | C24 H18 Cl N3 O3 S |
SMILES | S(=O)(=O)(N1C[C@]2(C(=NO[C@H]2c2ccccc2Cl)c2ccccc12)C#N)c1ccc(cc1)C |
Title of publication | A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction. |
Authors of publication | Bakthadoss, Manickam; Vinayagam, Varathan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 39 |
Pages of publication | 10007 - 10014 |
a | 9.398 ± 0.002 Å |
b | 9.776 ± 0.002 Å |
c | 24.059 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2210.4 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.1969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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