Information card for entry 2016933
Common name |
2,12-dibromodibenzo[<i>f</i>,<i>k</i>]-1,5-dioxa-1,2,3,4,5,8,9,10- octahydrocyclododecene |
Chemical name |
7,19-dibromo-11,15-dioxatricyclo[14.4.0.0^5,10^]icosaa-5,7,9,16,18,20-hexaene |
Formula |
C18 H18 Br2 O2 |
Calculated formula |
C18 H18 Br2 O2 |
SMILES |
Brc1ccc2c(c1)CCCc1c(ccc(Br)c1)OCCCO2 |
Title of publication |
Two similar dibenzo cyclic ethers with dissimilar conformations |
Authors of publication |
Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
1 |
Pages of publication |
o27 - o30 |
a |
13.7971 ± 0.0005 Å |
b |
8.5744 ± 0.0003 Å |
c |
28.1906 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3335 ± 0.2 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0894 |
Residual factor for significantly intense reflections |
0.0396 |
Weighted residual factors for significantly intense reflections |
0.08 |
Weighted residual factors for all reflections included in the refinement |
0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
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/2016933.html