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Information card for entry 1507850
Preview
Coordinates | 1507850.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H32 O4 |
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Calculated formula | C26 H32 O4 |
SMILES | c1cc2ccccc2c2c1O[C@]1(CCC[C@@]21C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)O |
Title of publication | Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. |
Authors of publication | Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 13 |
Pages of publication | 3324 - 3327 |
a | 9.706 ± 0.003 Å |
b | 10.487 ± 0.004 Å |
c | 21.638 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2202.5 ± 1.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1052 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1297 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/1507850.html
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