Information card for entry 1554647
| Formula |
C44 H46 N2 O4 |
| Calculated formula |
C44 H46 N2 O4 |
| SMILES |
c12cc(c3ccccc3)n(c2cc(c2ccccc2)n1c1ccc(cc1)C(=O)OCCCCCC)c1ccc(cc1)C(=O)OCCCCCC |
| Title of publication |
A stabilized lamellar liquid crystalline phase with aggregation-induced emission features based on pyrrolopyrrole derivatives |
| Authors of publication |
Dai, Shuangxiong; Cai, Zhengxu; Peng, Zhe; Wang, Zhi; Tong, Bin; Shi, Jianbing; Gan, Shenglong; He, Qiming; Chen, Wei; Dong, Yuping |
| Journal of publication |
Materials Chemistry Frontiers |
| Year of publication |
2019 |
| Journal volume |
3 |
| Journal issue |
6 |
| Pages of publication |
1105 |
| a |
6.3304 ± 0.0013 Å |
| b |
7.2037 ± 0.0014 Å |
| c |
20.473 ± 0.004 Å |
| α |
89.41 ± 0.03° |
| β |
89.13 ± 0.03° |
| γ |
76.08 ± 0.03° |
| Cell volume |
906.1 ± 0.3 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153.15 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 |
0.0715 |
| Residual factor for significantly intense reflections |
0.0638 |
| Weighted residual factors for significantly intense reflections |
0.1427 |
| Weighted residual factors for all reflections included in the refinement |
0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.155 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1554647.html
