Information card for entry 4037545
| Formula |
C26 H27 N O4 |
| Calculated formula |
C26 H27 N O4 |
| SMILES |
O=C(OCC)c1c(c(c2ccc(N3CCCC3)ccc12)C(=O)OCC)c1ccccc1 |
| Title of publication |
Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties. |
| Authors of publication |
Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
3 |
| Pages of publication |
1257 - 1275 |
| a |
7.5809 ± 0.0002 Å |
| b |
9.1799 ± 0.0003 Å |
| c |
16.1134 ± 0.0004 Å |
| α |
104.725 ± 0.003° |
| β |
97.399 ± 0.002° |
| γ |
97.091 ± 0.002° |
| Cell volume |
1061.15 ± 0.06 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 |
0.0548 |
| Residual factor for significantly intense reflections |
0.0435 |
| Weighted residual factors for significantly intense reflections |
0.0987 |
| Weighted residual factors for all reflections included in the refinement |
0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| 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/4037545.html
