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Information card for entry 7045617
Preview
Coordinates | 7045617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H70 B2 F8 O4 P2 Pd2 |
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Calculated formula | C52 H70 B2 F8 O4 P2 Pd2 |
SMILES | [B](F)(F)(F)[F-].C1(CCCCC1)[P]1(C2CCCCC2)c2c([C]34=[C]5(OC)[CH]6=[CH](C=C3OC)[Pd]3786[Pd]6145[CH]1[C]8(OC)=[C]7(C(=C[CH]6=1)OC)c1ccccc1[P]3(C1CCCCC1)C1CCCCC1)cccc2.[B](F)(F)(F)[F-] |
Title of publication | Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands. |
Authors of publication | Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 11 |
Pages of publication | 3684 - 3688 |
a | 19.9242 ± 0.0006 Å |
b | 15.4346 ± 0.0004 Å |
c | 19.9878 ± 0.0007 Å |
α | 90° |
β | 106.142 ± 0.002° |
γ | 90° |
Cell volume | 5904.4 ± 0.3 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 7 |
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 | 0.0559 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7045617.html
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