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Information card for entry 4032820
Preview
Coordinates | 4032820.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H22 |
---|---|
Calculated formula | C82 H22 |
SMILES | c12c3c4c5c6c7c8c9c%10c%11C%12(c3c6%10)C3(c1c1c6c3c3c%11c%10c9c9c8c8c%11c%13c%14c%15c%16c%17c%18c%19c(c1c%18c2C14Cc2c(CC%171c1c5c7c8c%13c%161)cccc2)c1c6c2c3c%10c3c4c(c%14c(c%15%19)c1c24)c%11c93)Cc1c(cccc1)C%12.c1ccccc1 |
Title of publication | Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts. |
Authors of publication | Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 16 |
Pages of publication | 8676 - 8685 |
a | 22.5926 ± 0.0006 Å |
b | 17.1813 ± 0.0004 Å |
c | 24.2882 ± 0.0006 Å |
α | 90° |
β | 116.291 ± 0.001° |
γ | 90° |
Cell volume | 8452.7 ± 0.4 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0672 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4032820.html
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Users of the data should acknowledge the original authors of the
structural data.