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Information card for entry 4082516
Preview
Coordinates | 4082516.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H43 F3 N2 O6 S |
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Calculated formula | C38 H43 F3 N2 O6 S |
SMILES | C1CNC(C(=C(c2cc(c(cc12)OC)OC)c1ccccc1)c1ccccc1)=[NH+]c1c(cccc1C)C.O(CC)CC.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines |
Authors of publication | Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 19 |
a | 9.0503 ± 0.0008 Å |
b | 12.5148 ± 0.0011 Å |
c | 16.6544 ± 0.0015 Å |
α | 80.959 ± 0.002° |
β | 80.951 ± 0.002° |
γ | 81.243 ± 0.002° |
Cell volume | 1823.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0498 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1158 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4082516.html
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Users of the data should acknowledge the original authors of the
structural data.