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Information card for entry 7026387
Preview
Coordinates | 7026387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 N O5 Pd S |
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Calculated formula | C16 H19 N O5 Pd S |
SMILES | [Pd]1(c2c(NC(=[O]1)C)ccc(c2)C)(OS(=O)(=O)c1ccc(cc1)C)[OH2] |
Title of publication | Anilide activation of adjacent C-H bonds in the palladium-catalysed Fujiwara-Moritani reaction. |
Authors of publication | Rauf, Waqar; Thompson, Amber L.; Brown, John M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 43 |
Pages of publication | 10414 - 10421 |
a | 14.807 ± 0.0005 Å |
b | 7.0603 ± 0.0002 Å |
c | 16.5075 ± 0.0006 Å |
α | 90° |
β | 106.099 ± 0.0016° |
γ | 90° |
Cell volume | 1658.05 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for all reflections | 0.0832 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.0832 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9252 |
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/7026387.html
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