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Information card for entry 1556035
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1556035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 N4 O |
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Calculated formula | C14 H16 N4 O |
Title of publication | Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles. |
Authors of publication | Foley, Christopher; Shaw, Arthur; Hulme, Christopher |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 9 |
Pages of publication | 2238 - 2241 |
a | 7.7378 ± 0.0003 Å |
b | 6.7075 ± 0.0002 Å |
c | 12.6395 ± 0.0005 Å |
α | 90° |
β | 102.323 ± 0.001° |
γ | 90° |
Cell volume | 640.89 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556035.html
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Users of the data should acknowledge the original authors of the
structural data.