Information card for entry 2232559
Common name |
4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan |
Chemical name |
6,10-di-<i>tert</i>-butyl-4,12-dimethoxy-8-oxatricyclo[7.4.0.0^2,7^]trideca- 1(9),2(7),3,5,10,12-hexaene |
Formula |
C22 H28 O3 |
Calculated formula |
C22 H28 O3 |
SMILES |
o1c2c(c3cc(OC)cc(c13)C(C)(C)C)cc(OC)cc2C(C)(C)C |
Title of publication |
4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan |
Authors of publication |
Chung, Dayeon; Otgonbaatar, Enkhzul; Son, Seok Hwan; Chung, Minchul; Kwak, Chee-Hun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o3356 |
a |
15.631 ± 0.003 Å |
b |
8.2487 ± 0.0014 Å |
c |
16 ± 0.003 Å |
α |
90° |
β |
105.438 ± 0.005° |
γ |
90° |
Cell volume |
1988.5 ± 0.6 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1364 |
Residual factor for significantly intense reflections |
0.0759 |
Weighted residual factors for significantly intense reflections |
0.1858 |
Weighted residual factors for all reflections included in the refinement |
0.2292 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.988 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2232559.html