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Information card for entry 4082512
Preview
Coordinates | 4082512.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H31.4 Cl N2 O2.2 Pd |
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Calculated formula | C25 H31 Cl N2 O2.201 Pd |
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 | 10.2812 ± 0.0008 Å |
b | 16.4926 ± 0.0012 Å |
c | 17.1709 ± 0.0013 Å |
α | 64.163 ± 0.002° |
β | 72.926 ± 0.002° |
γ | 80.04 ± 0.002° |
Cell volume | 2501.6 ± 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 | 0.0253 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0609 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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