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Information card for entry 4028490
Preview
Coordinates | 4028490.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H27 N O3 S |
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Calculated formula | C26 H27 N O3 S |
SMILES | [C@H]12[C@H](CCO[C@H]1c1ccccc1C)c1c(cccc1)N(C2)S(=O)(=O)c1ccc(cc1)C.[C@@H]12[C@@H](CCO[C@@H]1c1ccccc1C)c1c(cccc1)N(C2)S(=O)(=O)c1ccc(cc1)C |
Title of publication | Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization |
Authors of publication | B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8161 - 8168 |
a | 14.6611 ± 0.0005 Å |
b | 15.1611 ± 0.0006 Å |
c | 20.8261 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4629.2 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0692 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1304 |
Weighted residual factors for all reflections included in the refinement | 0.1372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
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/4028490.html
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Users of the data should acknowledge the original authors of the
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