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Information card for entry 4133936
Preview
Coordinates | 4133936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H74 N6 O8 |
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Calculated formula | C83 H74 N6 O8 |
SMILES | O(c1ccc(N(c2cc3C4(c5c(N(C)c6c4cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc6)ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)c5)c4c(N(C)c3cc2)ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c4)c2ccc(OC)cc2)cc1)C |
Title of publication | Doped but stable: spirobisacridine hole transporting materials for hysteresis-free and stable perovskite solar cells. |
Authors of publication | Drigo, Nikita A.; Roldán-Carmona, Cristina; Franckevicius, Marius; Lin, Kun-Han; Gegevi Ius, Rokas; Kim, Hobeom; Schouwink, Pascal A.; Sutanto, Albertus Adrian; Olthof, Selina; Sohail, Muhammad; Meerholz, Klaus; Gulbinas, Vidmantas; Corminboeuf, Clémence; Paek, Sanghyun; Nazeeruddin, Mohammad Khaja |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 14.7252 ± 0.0012 Å |
b | 14.9165 ± 0.0012 Å |
c | 16.888 ± 0.0013 Å |
α | 88.12 ± 0.002° |
β | 66.154 ± 0.002° |
γ | 78.264 ± 0.002° |
Cell volume | 3316.8 ± 0.5 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0666 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4133936.html
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Users of the data should acknowledge the original authors of the
structural data.