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Information card for entry 4078151
Preview
Coordinates | 4078151.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 N O2 |
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Calculated formula | C23 H17 N O2 |
SMILES | O=C1Cc2c(C(=C(C(=O)N1)c1ccccc1)c1ccccc1)cccc2 |
Title of publication | Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives |
Authors of publication | Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3361 |
a | 8.7948 ± 0.0011 Å |
b | 9.8117 ± 0.001 Å |
c | 11.3509 ± 0.0013 Å |
α | 104.998 ± 0.01° |
β | 103.082 ± 0.01° |
γ | 104.619 ± 0.01° |
Cell volume | 869.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4078151.html
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