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Information card for entry 1555928
Preview
Coordinates | 1555928.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H33 N4 O3 S |
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Calculated formula | C26 H33 N4 O3 S |
SMILES | S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)N1C=C(OC(CN=N#N)C1)c1ccccc1 |
Title of publication | Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines? |
Authors of publication | Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 21 |
Pages of publication | 5752 - 5755 |
a | 5.8986 ± 0.0003 Å |
b | 26.6087 ± 0.0015 Å |
c | 16.7845 ± 0.0011 Å |
α | 90° |
β | 96.428 ± 0.002° |
γ | 90° |
Cell volume | 2617.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1311 |
Residual factor for significantly intense reflections | 0.0808 |
Weighted residual factors for significantly intense reflections | 0.1959 |
Weighted residual factors for all reflections included in the refinement | 0.223 |
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/1555928.html
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structural data.