Information card for entry 7238073
| Chemical name |
(2S^*^,1'S^*^)-2-Acetoxy-3-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-3 -methylbutane |
| Formula |
C15 H20 O3 |
| Calculated formula |
C7.5 H10 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 |
11.308 ± 0.002 Å |
| b |
9.46 ± 0.001 Å |
| c |
13.187 ± 0.001 Å |
| α |
90 ± 0° |
| β |
96.191 ± 0.008° |
| γ |
90 ± 0° |
| Cell volume |
1402.4 ± 0.3 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 |
0.053 |
| Weighted residual factors for all reflections included in the refinement |
0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.604 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKa |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7238073.html
