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Information card for entry 7151845
Preview
Coordinates | 7151845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 N2 O4 |
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Calculated formula | C19 H20 N2 O4 |
SMILES | C1C[C@](C[C@@H](c2cccc(c2)N(=O)=O)O1)(C)NC(=O)c1ccccc1.C1C[C@@](C[C@H](c2cccc(c2)N(=O)=O)O1)(C)NC(=O)c1ccccc1 |
Title of publication | An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction. |
Authors of publication | Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 3428 - 3438 |
a | 11.6207 ± 0.0012 Å |
b | 19.274 ± 0.002 Å |
c | 16.3163 ± 0.0015 Å |
α | 90° |
β | 100.451 ± 0.007° |
γ | 90° |
Cell volume | 3593.9 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0988 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/7151845.html
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