Information card for entry 2021645
Chemical name |
4,4'-{9,9'-Spirobi[10<i>H</i>-acridine]-10,10'-diyl}dibenzoic acid |
Formula |
C39 H26 N2 O4 |
Calculated formula |
C39 H26 N2 O4 |
SMILES |
c12N(c3c(C4(c1cccc2)c1c(N(c2c4cccc2)c2ccc(cc2)C(=O)O)cccc1)cccc3)c1ccc(cc1)C(=O)O |
Title of publication |
Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen |
Authors of publication |
Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2019 |
Journal volume |
75 |
Journal issue |
6 |
a |
12.6717 ± 0.001 Å |
b |
13.0727 ± 0.0009 Å |
c |
13.9254 ± 0.0011 Å |
α |
65.029 ± 0.007° |
β |
75.294 ± 0.007° |
γ |
68.42 ± 0.007° |
Cell volume |
1931.2 ± 0.3 Å3 |
Cell temperature |
293.86 ± 0.1 K |
Ambient diffraction temperature |
293.86 ± 0.1 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 |
0.0821 |
Residual factor for significantly intense reflections |
0.0569 |
Weighted residual factors for significantly intense reflections |
0.1852 |
Weighted residual factors for all reflections included in the refinement |
0.1997 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.096 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2021645.html