Information card for entry 2233938
Chemical name |
6,7-Bis(bromomethyl)-2,11,18,21,24,27- hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta- 1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate |
Formula |
C29 H32 Br2 Cl2 O6 |
Calculated formula |
C29 H32 Br2 Cl2 O6 |
SMILES |
BrCc1cc2COc3ccccc3OCCOCCOCCOc3ccccc3OCc2cc1CBr.C(Cl)Cl |
Title of publication |
6,7-Bis(bromomethyl)-2,11,18,21,24,27-hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate |
Authors of publication |
Beack, Hyun Jin; Yoo, Seung Mee; Kim, Jae Eun; Sim, Wonbo; Lee, Jai Young |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o720 |
a |
9.133 ± 0.003 Å |
b |
12.191 ± 0.004 Å |
c |
15.038 ± 0.006 Å |
α |
66.116 ± 0.007° |
β |
85.263 ± 0.009° |
γ |
77.08 ± 0.006° |
Cell volume |
1492.1 ± 0.9 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 2 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 |
0.1842 |
Residual factor for significantly intense reflections |
0.0789 |
Weighted residual factors for significantly intense reflections |
0.1681 |
Weighted residual factors for all reflections included in the refinement |
0.2427 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233938.html