Information card for entry 4033592
| Formula |
C23 H27 N O5 |
| Calculated formula |
C23 H27 N O5 |
| SMILES |
O=C(CC(Nc1ccccc1)(C(=O)OC(C)C)C(=O)OC(C)C)c1ccccc1 |
| Title of publication |
Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles. |
| Authors of publication |
Kattamuri, Padmanabha V.; Bhakta, Urmibhusan; Siriwongsup, Surached; Kwon, Doo-Hyun; Alemany, Lawrence B.; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
11 |
| Pages of publication |
7066 - 7099 |
| a |
11.035 ± 0.003 Å |
| b |
12.177 ± 0.003 Å |
| c |
17.248 ± 0.004 Å |
| α |
90.577 ± 0.004° |
| β |
98.878 ± 0.004° |
| γ |
99.787 ± 0.005° |
| Cell volume |
2255 ± 1 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.2125 |
| Residual factor for significantly intense reflections |
0.0873 |
| Weighted residual factors for significantly intense reflections |
0.205 |
| Weighted residual factors for all reflections included in the refinement |
0.2837 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| 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/4033592.html
