Information card for entry 4035763
| Formula |
C31 H28 N6 O3 |
| Calculated formula |
C31 H28 N6 O3 |
| SMILES |
O(C(=O)C1(Cc2nnn(c2c2n(nnc2C1)Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1)CC |
| Title of publication |
Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands. |
| Authors of publication |
Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
21 |
| Pages of publication |
13166 - 13177 |
| a |
12.6636 ± 0.0002 Å |
| b |
12.667 ± 0.0002 Å |
| c |
17.6579 ± 0.0003 Å |
| α |
90° |
| β |
109.067 ± 0.002° |
| γ |
90° |
| Cell volume |
2677.1 ± 0.08 Å3 |
| Cell temperature |
170.01 ± 0.1 K |
| Ambient diffraction temperature |
170.01 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0841 |
| Residual factor for significantly intense reflections |
0.0562 |
| Weighted residual factors for significantly intense reflections |
0.1742 |
| Weighted residual factors for all reflections included in the refinement |
0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.331 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4035763.html
