Information card for entry 4032864
| Formula |
C40 H40 N2 |
| Calculated formula |
C40 H40 N2 |
| Title of publication |
Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy. |
| Authors of publication |
Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2017 |
| Journal volume |
82 |
| Journal issue |
19 |
| Pages of publication |
10408 - 10417 |
| a |
11.8453 ± 0.0011 Å |
| b |
12.0707 ± 0.0012 Å |
| c |
12.4256 ± 0.0012 Å |
| α |
88.758 ± 0.002° |
| β |
71.129 ± 0.001° |
| γ |
73.239 ± 0.001° |
| Cell volume |
1604.7 ± 0.3 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1279 |
| Residual factor for significantly intense reflections |
0.0558 |
| Weighted residual factors for significantly intense reflections |
0.1281 |
| Weighted residual factors for all reflections included in the refinement |
0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.84 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4032864.html
