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Information card for entry 4036117
Preview
Coordinates | 4036117.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | RTK-2126 |
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Formula | C20 H17 N3 O4 |
Calculated formula | C20 H17 N3 O4 |
SMILES | Cc1ccc(cc1)c1cnc(c(c2ccc(cc2)N(=O)=O)n1)C(=O)OCC |
Title of publication | Synthesis of pyrazines from rhodium-catalyzed reaction of 2H-Azirines with N-sulfonyl 1,2,3-triazoles. |
Authors of publication | Ryu, Taekyu; Baek, Yonghyeon; Lee, Phil Ho |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 4 |
Pages of publication | 2376 - 2383 |
a | 8.8975 ± 0.0003 Å |
b | 8.9207 ± 0.0003 Å |
c | 11.9762 ± 0.0004 Å |
α | 78.8932 ± 0.0018° |
β | 88.2809 ± 0.0018° |
γ | 74.9253 ± 0.0018° |
Cell volume | 900.47 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1409 |
Residual factor for significantly intense reflections | 0.104 |
Weighted residual factors for significantly intense reflections | 0.2496 |
Weighted residual factors for all reflections included in the refinement | 0.2703 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
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/4036117.html
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