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Information card for entry 4038571
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Coordinates | 4038571.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6-aza-ART |
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Chemical name | 6-aza-artemisinin |
Formula | C14 H21 N O5 |
Calculated formula | C14 H21 N O5 |
Title of publication | Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins. |
Authors of publication | Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 10.1639 ± 0.0007 Å |
b | 6.2896 ± 0.0004 Å |
c | 22.0115 ± 0.0018 Å |
α | 90° |
β | 93.038 ± 0.007° |
γ | 90° |
Cell volume | 1405.15 ± 0.18 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1349 |
Weighted residual factors for all reflections included in the refinement | 0.1524 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71075 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/4038571.html
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Users of the data should acknowledge the original authors of the
structural data.