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Information card for entry 4029919
Preview
Coordinates | 4029919.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H15 N3 O |
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Calculated formula | C17 H15 N3 O |
SMILES | n1(c2c(nc1)cccc2)Cc1ccc(cc1)C1=NCCO1 |
Title of publication | Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities. |
Authors of publication | Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 18 |
Pages of publication | 8668 - 8677 |
a | 6.3309 ± 0.0007 Å |
b | 21.2857 ± 0.0017 Å |
c | 10.2101 ± 0.0008 Å |
α | 90° |
β | 94.018 ± 0.008° |
γ | 90° |
Cell volume | 1372.5 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0828 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4029919.html
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