Information card for entry 4035016
| Formula |
C24 H20 Br N |
| Calculated formula |
C24 H20 Br N |
| SMILES |
Brc1ccc(c2c(c(n(Cc3ccccc3)c2)c2ccccc2)C)cc1 |
| Title of publication |
Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration. |
| Authors of publication |
Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
4 |
| Pages of publication |
2104 - 2113 |
| a |
5.8857 ± 0.0001 Å |
| b |
12.0646 ± 0.0002 Å |
| c |
13.8223 ± 0.0003 Å |
| α |
77.515 ± 0.002° |
| β |
82.318 ± 0.002° |
| γ |
78.463 ± 0.002° |
| Cell volume |
934.73 ± 0.03 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 |
0.0456 |
| Residual factor for significantly intense reflections |
0.043 |
| Weighted residual factors for significantly intense reflections |
0.0929 |
| Weighted residual factors for all reflections included in the refinement |
0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.182 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Diffraction radiation X-ray symbol |
K-L~3~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4035016.html
