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Information card for entry 4082518
Preview
Coordinates | 4082518.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H28 Cl N O2 |
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Calculated formula | C26 H28 Cl N O2 |
SMILES | c1(c(cccc1)CC([NH3+])(C)C)C(=C(C(=O)OC)\c1ccccc1)\c1ccccc1.[Cl-] |
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 | 12.9424 ± 0.0011 Å |
b | 15.4431 ± 0.0012 Å |
c | 12.0084 ± 0.0009 Å |
α | 90° |
β | 102.573 ± 0.002° |
γ | 90° |
Cell volume | 2342.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0545 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4082518.html
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