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Information card for entry 7156771
Preview
Coordinates | 7156771.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H11 F2 N5 |
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Calculated formula | C15 H11 F2 N5 |
Title of publication | An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation. |
Authors of publication | Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 16 |
Pages of publication | 4129 - 4138 |
a | 25.282 ± 0.002 Å |
b | 3.7619 ± 0.0002 Å |
c | 35.085 ± 0.003 Å |
α | 90° |
β | 92.481 ± 0.007° |
γ | 90° |
Cell volume | 3333.7 ± 0.4 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.2008 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.1632 |
Weighted residual factors for all reflections included in the refinement | 0.2208 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9196 |
Diffraction radiation probe | x-ray |
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/7156771.html
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Users of the data should acknowledge the original authors of the
structural data.