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Information card for entry 1558094
Preview
Coordinates | 1558094.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Spiro-CN-OMeTAD |
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Formula | C92 H76 N6 O8 |
Calculated formula | C92 H76 N6 O8 |
SMILES | O(C)c1ccc(N(c2cc3C4(C(c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc5c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc45)=C(C#N)C#N)c4c(c3cc2)ccc(N(c2ccc(OC)cc2)c2ccc(cc2)OC)c4)c2ccc(OC)cc2)cc1.c1ccccc1C |
Title of publication | Lewis-base containing spiro type hole transporting materials for high-performance perovskite solar cells with efficiency approaching 20. |
Authors of publication | Xu, Jianbin; Liang, Lusheng; Mai, Chi-Lun; Zhang, Zilong; Zhou, Qin; Xiong, Qiu; Zhang, Zhuangzhuang; Deng, Longhui; Gao, Peng |
Journal of publication | Nanoscale |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 24 |
Pages of publication | 13157 - 13164 |
a | 11.2545 ± 0.001 Å |
b | 18.0672 ± 0.0018 Å |
c | 20.425 ± 0.002 Å |
α | 114.844 ± 0.003° |
β | 101.984 ± 0.003° |
γ | 90.435 ± 0.003° |
Cell volume | 3665.6 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 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 | 0.2339 |
Residual factor for significantly intense reflections | 0.0982 |
Weighted residual factors for significantly intense reflections | 0.248 |
Weighted residual factors for all reflections included in the refinement | 0.3236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1558094.html
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Users of the data should acknowledge the original authors of the
structural data.