Information card for entry 4037556
| Formula |
C16 H20 N2 O2 |
| Calculated formula |
C16 H20 N2 O2 |
| SMILES |
O=C1CC(CC(=O)C1=C1NCCCn2cccc12)(C)C |
| Title of publication |
Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines. |
| Authors of publication |
Chithanna, Sivanna; Yang, Ding-Yah |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
3 |
| Pages of publication |
1339 - 1347 |
| a |
8.2655 ± 0.0007 Å |
| b |
9.2448 ± 0.0008 Å |
| c |
10.7843 ± 0.0009 Å |
| α |
102.597 ± 0.003° |
| β |
109.073 ± 0.003° |
| γ |
105.449 ± 0.003° |
| Cell volume |
707.31 ± 0.11 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.0407 |
| Residual factor for significantly intense reflections |
0.0362 |
| Weighted residual factors for significantly intense reflections |
0.0976 |
| Weighted residual factors for all reflections included in the refinement |
0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.968 |
| Diffraction radiation probe |
x-ray |
| 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/4037556.html
