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Information card for entry 7153773
Preview
Coordinates | 7153773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 N O6 |
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Calculated formula | C22 H16 N O6 |
SMILES | O(C(=O)C(c1c2c(c(O)c(O)c1)cccc2)c1nc2c(oc1=O)cccc2)CC |
Title of publication | Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates. |
Authors of publication | Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 21 |
Pages of publication | 3366 - 3370 |
a | 8.447 ± 0.006 Å |
b | 9.631 ± 0.006 Å |
c | 22.349 ± 0.013 Å |
α | 90° |
β | 91.54 ± 0.02° |
γ | 90° |
Cell volume | 1818 ± 2 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1455 |
Weighted residual factors for all reflections included in the refinement | 0.1634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
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/7153773.html
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Users of the data should acknowledge the original authors of the
structural data.