Information card for entry 2222137
Chemical name |
4,4'-(Anthracene-9,10-diyl)dibenzoic acid dimethylformamide disolvate |
Formula |
C34 H32 N2 O6 |
Calculated formula |
C34 H32 N2 O6 |
SMILES |
OC(=O)c1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)C(=O)O.O=CN(C)C.O=CN(C)C |
Title of publication |
4,4'-(Anthracene-9,10-diyl)dibenzoic acid dimethylformamide disolvate |
Authors of publication |
Li, Hong; Wang, Zhi-Qiang; Yang, Liu-Zhi; Liu, Yan-Qi; Mao, Duo-Bin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1223 |
a |
7.3692 ± 0.0015 Å |
b |
8.9981 ± 0.0018 Å |
c |
12.124 ± 0.002 Å |
α |
71.157 ± 0.003° |
β |
77.64 ± 0.003° |
γ |
79.754 ± 0.003° |
Cell volume |
738 ± 0.2 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1069 |
Residual factor for significantly intense reflections |
0.0532 |
Weighted residual factors for significantly intense reflections |
0.1298 |
Weighted residual factors for all reflections included in the refinement |
0.1622 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2222137.html