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Information card for entry 4024225
Preview
Coordinates | 4024225.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 O8 P |
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Calculated formula | C21 H23 O8 P |
SMILES | [P@]1(=O)(Oc2ccccc2)O[C@H]([C@H]2O[C@@H]3OC(O[C@@H]3[C@H]2O1)(C)C)c1ccc(OC)cc1 |
Title of publication | Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs? |
Authors of publication | Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 197 - 205 |
a | 6.4087 ± 0.0008 Å |
b | 17.125 ± 0.002 Å |
c | 19.009 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2086.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0908 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4024225.html
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