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Information card for entry 4027485
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Coordinates | 4027485.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | iminosugars |
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Formula | C24 H28 Cl2 O6 |
Calculated formula | C24 H28 Cl2 O6 |
SMILES | O1[C@H](OCc2ccccc2)[C@H]2OC(O[C@H]2[C@H]1[C@@](O)(COCc1ccccc1)C(Cl)Cl)(C)C |
Title of publication | α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies |
Authors of publication | Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 7873 - 7882 |
a | 6.299 ± 0.001 Å |
b | 39.634 ± 0.008 Å |
c | 9.864 ± 0.002 Å |
α | 90° |
β | 108.327 ± 0.014° |
γ | 90° |
Cell volume | 2337.7 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0956 |
Residual factor for significantly intense reflections | 0.0841 |
Weighted residual factors for significantly intense reflections | 0.1676 |
Weighted residual factors for all reflections included in the refinement | 0.1729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
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/4027485.html
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