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Information card for entry 7243042
Preview
Coordinates | 7243042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 N3 |
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Calculated formula | C22 H17 N3 |
Title of publication | Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies |
Authors of publication | Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 29 |
Pages of publication | 5078 - 5086 |
a | 14.016 ± 0.0017 Å |
b | 8.1673 ± 0.001 Å |
c | 14.8905 ± 0.0019 Å |
α | 90° |
β | 94.665 ± 0.002° |
γ | 90° |
Cell volume | 1698.9 ± 0.4 Å3 |
Cell temperature | 296 ± 0.2 K |
Ambient diffraction temperature | 296 ± 0.2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7243042.html
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Users of the data should acknowledge the original authors of the
structural data.