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Information card for entry 1555929
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1555929.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 N4 O3 S |
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Calculated formula | C17 H16 N4 O3 S |
SMILES | c1(ccccc1)S(=O)(=O)N1C=C(c2ccccc2)OC(C1)CN=N#N |
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 | 8.75 ± 0.0007 Å |
b | 15.7853 ± 0.0017 Å |
c | 24.961 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3447.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.1546 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.1831 |
Weighted residual factors for all reflections included in the refinement | 0.2145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1555929.html
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Users of the data should acknowledge the original authors of the
structural data.