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Information card for entry 7059467
Preview
Coordinates | 7059467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 N O3 |
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Calculated formula | C14 H15 N O3 |
Title of publication | Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles |
Authors of publication | Surya Prakash Rao, H.; Padder, Ashiq Hussain |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 21 |
Pages of publication | 9010 - 9017 |
a | 25.92 ± 0.003 Å |
b | 5.4308 ± 0.0006 Å |
c | 18.988 ± 0.002 Å |
α | 90° |
β | 103.173 ± 0.013° |
γ | 90° |
Cell volume | 2602.5 ± 0.5 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1071 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1544 |
Weighted residual factors for all reflections included in the refinement | 0.1904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7059467.html
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Users of the data should acknowledge the original authors of the
structural data.