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Information card for entry 1552423
Preview
Coordinates | 1552423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H39 F6 Ir O3 P2 |
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Calculated formula | C31 H39 F6 Ir O3 P2 |
SMILES | [Ir]12345([P](C)(C)C)(c6c7c(c8c(C7=CC=1OC)cc(OC)cc8)ccc6OC)[c]1([c]2([c]3([c]5([c]41C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | One-pot syntheses of irida-polycyclic aromatic hydrocarbons |
Authors of publication | Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 8.813 ± 0.003 Å |
b | 11.485 ± 0.003 Å |
c | 16.101 ± 0.005 Å |
α | 83.036 ± 0.005° |
β | 83.576 ± 0.005° |
γ | 89.718 ± 0.005° |
Cell volume | 1607.5 ± 0.9 Å3 |
Cell temperature | 250 K |
Ambient diffraction temperature | 250 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0793 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1407 |
Weighted residual factors for all reflections included in the refinement | 0.1541 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552423.html
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