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Information card for entry 4086458
Preview
Coordinates | 4086458.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 N O2 P Pd |
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Calculated formula | C32 H30 N O2 P Pd |
SMILES | c12ccccc1C=[N]1O[C@@H]3[C@]4(CC[C@@H](C3)C4)[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c12ccccc1C=[N]1O[C@H]3[C@@]4(CC[C@H](C3)C4)[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group |
Authors of publication | Ren, Zhi; Dong, Guangbin |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 8 |
Pages of publication | 1057 |
a | 9.113 ± 0.0009 Å |
b | 11.339 ± 0.0011 Å |
c | 13.81 ± 0.0012 Å |
α | 109.376 ± 0.003° |
β | 105.198 ± 0.004° |
γ | 93.408 ± 0.003° |
Cell volume | 1282.2 ± 0.2 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 | 0.021 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4086458.html
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Users of the data should acknowledge the original authors of the
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