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Information card for entry 4518975
Preview
Coordinates | 4518975.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H64 Cl2 N4 P2 Pd2 |
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Calculated formula | C60 H64 Cl2 N4 P2 Pd2 |
Title of publication | Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis |
Authors of publication | Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J. |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 16 |
Pages of publication | 10394 - 10404 |
a | 9.487 ± 0.0019 Å |
b | 10.576 ± 0.003 Å |
c | 15.286 ± 0.003 Å |
α | 96.2 ± 0.04° |
β | 91.16 ± 0.03° |
γ | 116.58 ± 0.03° |
Cell volume | 1359.5 ± 0.7 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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 1.54178 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/4518975.html
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