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Information card for entry 4068599
Preview
Coordinates | 4068599.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H12 O S |
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Calculated formula | C15 H12 O S |
Title of publication | Heteroaromatic Analogues of Dibenzylideneacetone (dba) and Pd02(het-dba)3Complexes: Effect of a Thienyl Moiety on the Reactivity of Pd0(η2-thn-dba)(PPh3)2/Pd0(PPh3)2(n= 1 or 2) and Pd0(η2-th2-dba)(dppe)/Pd0(dppe) in Oxidative Addition Reactions with Iodobenzene |
Authors of publication | Sehnal, Petr; Taghzouti, Hanaa; Fairlamb, Ian J. S.; Jutand, Anny; Lee, Adam F.; Whitwood, Adrian C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 824 |
a | 26.883 ± 0.006 Å |
b | 5.7764 ± 0.0011 Å |
c | 8.0092 ± 0.0016 Å |
α | 90° |
β | 107.304 ± 0.006° |
γ | 90° |
Cell volume | 1187.4 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0648 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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