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Information card for entry 4029228
Preview
Coordinates | 4029228.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 N O3 |
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Calculated formula | C23 H17 N O3 |
SMILES | O=C(OC)C(=C1OC(=Nc2ccccc2)c2c1cccc2)c1ccccc1 |
Title of publication | Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives. |
Authors of publication | Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 8 |
Pages of publication | 3506 - 3518 |
a | 16.4375 ± 0.0014 Å |
b | 13.4404 ± 0.0011 Å |
c | 18.1129 ± 0.0013 Å |
α | 90° |
β | 112.239 ± 0.003° |
γ | 90° |
Cell volume | 3704 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4029228.html
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