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Information card for entry 7243500
Preview
Coordinates | 7243500.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-(4-chlorophenyl)-7-iodo-5-methyl-3-phenyl-1-benzofuran |
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Formula | C21 H14 Cl I O |
Calculated formula | C21 H14 Cl I O |
Title of publication | Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones |
Authors of publication | Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K. |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 48 |
Pages of publication | 30069 - 30077 |
a | 8.1585 ± 0.0003 Å |
b | 10.0268 ± 0.0004 Å |
c | 11.7398 ± 0.0005 Å |
α | 82.2199 ± 0.0004° |
β | 69.7716 ± 0.0004° |
γ | 70.2331 ± 0.0004° |
Cell volume | 847.84 ± 0.06 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0353 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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