Information card for entry 7238074
| Chemical name |
(3S^*^,1'R^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2 ,4-dimethylpentane |
| Formula |
C17 H24 O3 |
| Calculated formula |
C8.5 H12 O1.5 |
| Title of publication |
Thermal reaction of diastereomeric benzocyclobutenols. Evidence for reversible opening of 1,2-dihydrobenzocyclobutenols to hydroxy-o-xylylenes |
| Authors of publication |
Kawata, Etsuya; Saito, Masaichi; Yoshioka, Michikazu |
| Journal of publication |
Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication |
2000 |
| Journal issue |
6 |
| Pages of publication |
1015 |
| a |
10.106 ± 0.001 Å |
| b |
25.218 ± 0.002 Å |
| c |
12.298 ± 0.002 Å |
| α |
90 ± 0° |
| β |
90.176 ± 0.005° |
| γ |
90 ± 0° |
| Cell volume |
3134.2 ± 0.6 Å3 |
| Cell temperature |
298 K |
| Number of distinct elements |
3 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 (a,b,c-1/4) |
| Hall space group symbol |
P 2ybc |
| Residual factor for significantly intense reflections |
0.054 |
| Weighted residual factors for all reflections included in the refinement |
0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement |
2.364 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKa |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7238074.html
