Information card for entry 1508859
Chemical name |
1-(5,6-dimethoxy-3-methyl-1H-indol-2-yl)-2-methylpropan-1-one |
Formula |
C15 H19 N O3 |
Calculated formula |
C15 H19 N O3 |
SMILES |
c1c(c(cc2c(c(C(=O)C(C)C)[nH]c12)C)OC)OC |
Title of publication |
Cu(OTf)(2)-Catalyzed Synthesis of 2,3-Disubstituted Indoles and 2,4,5-Trisubstituted Pyrroles from α-Diazoketones. |
Authors of publication |
Reddy, B. V. Subba; Reddy, M. Ramana; Rao, Y. Gopal; Yadav, J. S.; Sridhar, B. |
Journal of publication |
Organic letters |
Year of publication |
2013 |
Journal volume |
15 |
Journal issue |
3 |
Pages of publication |
464 - 467 |
a |
6.9397 ± 0.0007 Å |
b |
8.8694 ± 0.001 Å |
c |
11.1168 ± 0.0012 Å |
α |
97.572 ± 0.002° |
β |
94.165 ± 0.002° |
γ |
92.775 ± 0.002° |
Cell volume |
675.33 ± 0.13 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 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 |
0.0454 |
Residual factor for significantly intense reflections |
0.041 |
Weighted residual factors for significantly intense reflections |
0.1127 |
Weighted residual factors for all reflections included in the refinement |
0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1508859.html