Information card for entry 1514255
| Formula |
C21 H17 I3 O3 |
| Calculated formula |
C21 H17 I3 O3 |
| SMILES |
IC1=C(I)C(OC21OC(=C(I)c1c2cccc1)c1ccc(OC)cc1)(C)C |
| Title of publication |
Facile Synthesis of Halogenated Spiroketals via a Tandem Iodocyclization. |
| Authors of publication |
Wang, Jia; Zhu, Hai-Tao; Li, Ying-Xiu; Wang, Li-Jing; Qiu, Yi-Feng; Qiu, Zi-Hang; Zhong, Mei-Jin; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication |
Organic letters |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
8 |
| Pages of publication |
2236 - 2239 |
| a |
9.5417 ± 0.0005 Å |
| b |
10.255 ± 0.0007 Å |
| c |
12.6145 ± 0.0008 Å |
| α |
73.414 ± 0.006° |
| β |
84.654 ± 0.005° |
| γ |
68.761 ± 0.005° |
| Cell volume |
1102.55 ± 0.13 Å3 |
| Cell temperature |
121.16 ± 0.1 K |
| Ambient diffraction temperature |
121.16 ± 0.1 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 |
0.0511 |
| Residual factor for significantly intense reflections |
0.0405 |
| Weighted residual factors for significantly intense reflections |
0.0897 |
| Weighted residual factors for all reflections included in the refinement |
0.0976 |
| 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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The link is:
https://www.crystallography.net/1514255.html
