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Information card for entry 4030065
Preview
Coordinates | 4030065.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H21.5 F6 N3.5 P Pd |
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Calculated formula | C23 H21.5 F6 N3.5 P Pd |
SMILES | [Pd]123([n]4ccccc4N4C=1N(c1c4cccc1)C)C[CH]2=[CH]3c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates. |
Authors of publication | Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 24 |
Pages of publication | 12010 - 12017 |
a | 11.993 ± 0.003 Å |
b | 17.981 ± 0.004 Å |
c | 22.586 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4871 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0973 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1402 |
Weighted residual factors for all reflections included in the refinement | 0.1691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4030065.html
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