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Information card for entry 4036569
Preview
Coordinates | 4036569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H36 N O6 P |
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Calculated formula | C21 H36 N O6 P |
SMILES | P(=O)(OCC)(OCC)[C@H](N(O[C@@H](c1ccccc1)C)C(C)(C)C(=O)O)C(C)(C)C |
Title of publication | C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment. |
Authors of publication | Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 5 |
Pages of publication | 1981 - 1988 |
a | 8.3281 ± 0.0002 Å |
b | 15.4335 ± 0.0002 Å |
c | 10.2295 ± 0.0002 Å |
α | 90° |
β | 111.229 ± 0.003° |
γ | 90° |
Cell volume | 1225.59 ± 0.05 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.0318 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4036569.html
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