Information card for entry 1517557
| Formula |
C60 H58 O2 |
| Calculated formula |
C60 H58 O2 |
| Title of publication |
Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination. |
| Authors of publication |
Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang |
| Journal of publication |
Organic letters |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
18 |
| Pages of publication |
4924 - 4927 |
| a |
6.3965 ± 0.0013 Å |
| b |
9.8109 ± 0.0015 Å |
| c |
19.436 ± 0.002 Å |
| α |
75.475 ± 0.014° |
| β |
80.285 ± 0.016° |
| γ |
73.29 ± 0.015° |
| Cell volume |
1124.7 ± 0.3 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 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 |
0.1289 |
| Residual factor for significantly intense reflections |
0.0905 |
| Weighted residual factors for significantly intense reflections |
0.2541 |
| Weighted residual factors for all reflections included in the refinement |
0.2893 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1517557.html
