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Information card for entry 1553538
Preview
Coordinates | 1553538.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H27 Cl N2 O Pd |
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Calculated formula | C34 H27 Cl N2 O Pd |
SMILES | [Pd]12(c3c4c5[n]2c2c(cccc2C(=[N]1c1c(CC)cccc1CC)C)c(C=O)c5c1ccccc1c4ccc3)Cl |
Title of publication | Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling |
Authors of publication | Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 1668 |
a | 14.187 ± 0.003 Å |
b | 12.38 ± 0.003 Å |
c | 14.674 ± 0.003 Å |
α | 90° |
β | 92.59 ± 0.03° |
γ | 90° |
Cell volume | 2574.6 ± 1 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 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 | 0.0286 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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