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Information card for entry 7155030
Preview
Coordinates | 7155030.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Diethyl (1-(tert-butyl(1-(4-fluorophenyl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate |
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Formula | C21 H37 F N O4 P |
Calculated formula | C21 H37 F N O4 P |
SMILES | P(=O)(OCC)(OCC)[C@H](N(O[C@@H](c1ccc(F)cc1)C)C(C)(C)C)C(C)(C)C.P(=O)(OCC)(OCC)[C@@H](N(O[C@H](c1ccc(F)cc1)C)C(C)(C)C)C(C)(C)C |
Title of publication | C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment. |
Authors of publication | Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2016 |
Journal volume | 14 |
Journal issue | 14 |
Pages of publication | 3574 - 3583 |
a | 9.0712 ± 0.0003 Å |
b | 10.2972 ± 0.0003 Å |
c | 13.5576 ± 0.0003 Å |
α | 75.983 ± 0.002° |
β | 80.691 ± 0.002° |
γ | 78.803 ± 0.002° |
Cell volume | 1196.5 ± 0.06 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1482 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
181799 (current) | 2016-04-05 | cif/ Updating files of 7155028, 7155029, 7155030 Original log message: Adding full bibliography for 7155028--7155030.cif. |
7155030.cif |
178320 | 2016-03-18 | cif/ Adding structures of 7155028, 7155029, 7155030 via cif-deposit CGI script. |
7155030.cif |
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Users of the data should acknowledge the original authors of the
structural data.