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Information card for entry 4122431
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4122431.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3-([1,1'-biphenyl]-4-yl)-5-(2-iodophenyl)-2-phenylfuran |
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Formula | C28 H19 I O |
Calculated formula | C28 H19 I O |
SMILES | c1(ccccc1c1cc(c2ccc(c3ccccc3)cc2)c(c2ccccc2)o1)I |
Title of publication | Palladium-catalyzed condensation of N-aryl imines and alkynylbenziodoxolones to form multisubstituted furans. |
Authors of publication | Lu, Beili; Wu, Junliang; Yoshikai, Naohiko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 33 |
Pages of publication | 11598 - 11601 |
a | 9.2952 ± 0.0005 Å |
b | 10.6071 ± 0.0005 Å |
c | 11.2809 ± 0.0005 Å |
α | 97.188 ± 0.001° |
β | 103.871 ± 0.001° |
γ | 95.533 ± 0.002° |
Cell volume | 1062.05 ± 0.09 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.028 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.0583 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122431.html
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