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Information card for entry 4081369
Preview
Coordinates | 4081369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 N O5 |
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Calculated formula | C20 H19 N O5 |
SMILES | O=C1N(C(c2c1cccc2)(C(C(=O)OC)C(=O)OC)c1ccccc1)C |
Title of publication | Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones |
Authors of publication | Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4664 |
a | 8.5887 ± 0.0002 Å |
b | 13.2148 ± 0.0004 Å |
c | 15.8792 ± 0.0004 Å |
α | 99.44 ± 0.002° |
β | 96.959 ± 0.002° |
γ | 96.003 ± 0.002° |
Cell volume | 1750.44 ± 0.08 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 | 0.0682 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.1085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081369.html
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Users of the data should acknowledge the original authors of the
structural data.