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Information card for entry 1552562
Preview
Coordinates | 1552562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H12 F2 N2 O5 |
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Calculated formula | C10 H12 F2 N2 O5 |
SMILES | FC1(F)[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1CO |
Title of publication | Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. |
Authors of publication | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2019 |
Journal volume | 62 |
Journal issue | 13 |
Pages of publication | 6346 - 6362 |
a | 5.8735 ± 0.0002 Å |
b | 13.5166 ± 0.0005 Å |
c | 14.1374 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1122.36 ± 0.07 Å3 |
Cell temperature | 293.55 ± 0.1 K |
Ambient diffraction temperature | 293.55 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0649 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1552562.html
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Users of the data should acknowledge the original authors of the
structural data.