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Information card for entry 4032056
Preview
Coordinates | 4032056.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | XZ-C1 |
---|---|
Formula | C12 H11 N O3 |
Calculated formula | C12 H11 N O3 |
SMILES | c12ccccc1C(=O)NC\2=C/C(=O)OCC |
Title of publication | Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles. |
Authors of publication | Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 10094 |
a | 15.8194 ± 0.0004 Å |
b | 7.2095 ± 0.0002 Å |
c | 38.1891 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4355.47 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1756 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1381 |
Weighted residual factors for all reflections included in the refinement | 0.1656 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032056.html
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