Information card for entry 7121414
| Formula |
C16 H18 B F4 N |
| Calculated formula |
C16 H18 B F4 N |
| Title of publication |
A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne. |
| Authors of publication |
Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
32 |
| Pages of publication |
4009 - 4012 |
| a |
12.9618 ± 0.0006 Å |
| b |
9.9513 ± 0.0004 Å |
| c |
13.2243 ± 0.0007 Å |
| α |
90° |
| β |
118.42 ± 0.001° |
| γ |
90° |
| Cell volume |
1500.19 ± 0.12 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.1653 |
| Residual factor for significantly intense reflections |
0.0982 |
| Weighted residual factors for significantly intense reflections |
0.2778 |
| Weighted residual factors for all reflections included in the refinement |
0.3401 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| 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/7121414.html
