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Information card for entry 1555592
Preview
Coordinates | 1555592.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H66 O12 P2 |
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Calculated formula | C66 H64.5 O12 P2 |
SMILES | P1(=O)(O[C@@H](c2ccccc2)CC[C@@H](O1)c1ccccc1)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OP2(=O)O[C@@H](c3ccccc3)CC[C@@H](O2)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
Title of publication | A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates. |
Authors of publication | Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 13 |
Pages of publication | 3162 - 3165 |
a | 11.2057 ± 0.0008 Å |
b | 15.2204 ± 0.0014 Å |
c | 18.506 ± 0.002 Å |
α | 71.165 ± 0.006° |
β | 81.596 ± 0.006° |
γ | 89.993 ± 0.006° |
Cell volume | 2951.5 ± 0.5 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1512 |
Residual factor for significantly intense reflections | 0.1275 |
Weighted residual factors for significantly intense reflections | 0.2978 |
Weighted residual factors for all reflections included in the refinement | 0.32 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 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/1555592.html
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