Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240541
Preview
Coordinates | 7240541.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | carbocyclic nucleoside |
---|---|
Chemical name | (1S,2R,3R,5R)-5-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)-3-methyl-4-methylenecyclopentane-1,2-diol |
Formula | C14 H17 Cl N4 O3 |
Calculated formula | C14 H17 Cl N4 O3 |
Title of publication | Synthesis and anti-HBV activity of carbocyclic nucleoside hybrids with salient features of entecavir and aristeromycin |
Authors of publication | Samunuri, Ramakrishnamraju; Toyama, Masaaki; Pallaka, Renuka Sivasankar; Neeladri, Seshubabu; Jha, Ashok Kumar; Baba, Masanori; Bal, Chandralata |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2020 |
a | 8.6168 ± 0.0004 Å |
b | 6.7974 ± 0.0003 Å |
c | 13.2395 ± 0.0005 Å |
α | 90° |
β | 99.344 ± 0.004° |
γ | 90° |
Cell volume | 765.17 ± 0.06 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7240541.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.