Information card for entry 4034927
| Formula |
C16 H18 N2 O3 |
| Calculated formula |
C16 H18 N2 O3 |
| SMILES |
C(=O)(c1ccccc1)N(C)c1cn(c(c1)C(=O)OCC)C |
| Title of publication |
Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings. |
| Authors of publication |
Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
8 |
| Pages of publication |
4606 - 4617 |
| a |
7.1401 ± 0.0016 Å |
| b |
9.047 ± 0.002 Å |
| c |
12.314 ± 0.003 Å |
| α |
103.183 ± 0.003° |
| β |
106.298 ± 0.003° |
| γ |
97.522 ± 0.003° |
| Cell volume |
727 ± 0.3 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 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 |
0.0815 |
| Residual factor for significantly intense reflections |
0.0449 |
| Weighted residual factors for significantly intense reflections |
0.0965 |
| Weighted residual factors for all reflections included in the refinement |
0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| 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/4034927.html
