Information card for entry 1505513
Formula |
C30 H34 Br4 N2 O4 |
Calculated formula |
C30 H34 Br4 N2 O4 |
SMILES |
Brc1c2C(=O)N(C(=O)c3c(Br)c(Br)c4C(=O)N(C(=O)c(c1Br)c4c23)CCCCCCCC)CCCCCCCC |
Title of publication |
First synthesis of 2,3,6,7-tetrabromonaphthalene diimide. |
Authors of publication |
Gao, Xike; Qiu, Wenfeng; Yang, Xiaodi; Liu, Yunqi; Wang, Ying; Zhang, Hengjun; Qi, Ting; Liu, Ying; Lu, Kun; Du, Chunyan; Shuai, Zhigang; Yu, Gui; Zhu, Daoben |
Journal of publication |
Organic letters |
Year of publication |
2007 |
Journal volume |
9 |
Journal issue |
20 |
Pages of publication |
3917 - 3920 |
a |
9.839 ± 0.005 Å |
b |
9.925 ± 0.005 Å |
c |
17.139 ± 0.007 Å |
α |
101.693 ± 0.01° |
β |
91.224 ± 0.017° |
γ |
112.63 ± 0.015° |
Cell volume |
1503.6 ± 1.3 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 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 |
0.11 |
Residual factor for significantly intense reflections |
0.0797 |
Weighted residual factors for significantly intense reflections |
0.1854 |
Weighted residual factors for all reflections included in the refinement |
0.2105 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.951 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1505513.html