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Information card for entry 4134340
Preview
Coordinates | 4134340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H60 F24 N12 P4 |
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Calculated formula | C72 H60 F24 N12 P4 |
Title of publication | TetrazineBox: A Structurally Transformative ToolBox. |
Authors of publication | Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 10.4662 ± 0.0005 Å |
b | 11.0351 ± 0.0005 Å |
c | 17.4251 ± 0.0008 Å |
α | 74.161 ± 0.0015° |
β | 78.635 ± 0.0015° |
γ | 65.16 ± 0.001° |
Cell volume | 1749.15 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.04 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0457 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.119 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0535 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134340.html
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Users of the data should acknowledge the original authors of the
structural data.