Information card for entry 7122040
| Formula |
C26 H22 Cl N O3 |
| Calculated formula |
C26 H22 Cl N O3 |
| Title of publication |
Formal [5+2] cycloaddition of vinylethylene carbonates to oxazol-5-(4H)-ones for the synthesis of 3,4-dihydrooxepin-2(7H)-ones. |
| Authors of publication |
Zhao, Hong-Wu; Du, Juan; Guo, Jia-Ming; Feng, Ning-Ning; Wang, Li-Ru; Ding, Wan-Qiu; Song, Xiu-Qing |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
66 |
| Pages of publication |
9178 - 9181 |
| a |
9.588 ± 0.004 Å |
| b |
14.091 ± 0.007 Å |
| c |
15.915 ± 0.007 Å |
| α |
88.6 ± 0.02° |
| β |
78.027 ± 0.016° |
| γ |
88.2 ± 0.03° |
| Cell volume |
2102 ± 1.7 Å3 |
| Cell temperature |
133 ± 2 K |
| Ambient diffraction temperature |
133.15 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.107 |
| Residual factor for significantly intense reflections |
0.0868 |
| Weighted residual factors for significantly intense reflections |
0.225 |
| Weighted residual factors for all reflections included in the refinement |
0.2348 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.112 |
| 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/7122040.html
