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Information card for entry 4518976
Preview
Coordinates | 4518976.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H28.5 B0 Cl3 N2 P Pd1.5 |
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Calculated formula | C27 H28.5 Cl3 N2 P Pd1.5 |
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 | 38.6949 ± 0.0018 Å |
b | 17.3828 ± 0.0007 Å |
c | 19.7361 ± 0.0008 Å |
α | 90° |
β | 99.654 ± 0.003° |
γ | 90° |
Cell volume | 13087 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0835 |
Residual factor for significantly intense reflections | 0.0701 |
Weighted residual factors for significantly intense reflections | 0.1881 |
Weighted residual factors for all reflections included in the refinement | 0.205 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.671 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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