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Information card for entry 4031952
Preview
Coordinates | 4031952.cif |
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Original paper (by DOI) | HTML |
Formula | C63 H48 F10 O2 |
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Calculated formula | C63 H48 F10 O2 |
Title of publication | Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure. |
Authors of publication | Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 7 |
Pages of publication | 2911 - 2919 |
a | 9.2006 ± 0.0004 Å |
b | 10.9573 ± 0.0006 Å |
c | 13.7554 ± 0.0006 Å |
α | 95.316 ± 0.002° |
β | 99.204 ± 0.001° |
γ | 114.807 ± 0.001° |
Cell volume | 1222.66 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1401 |
Weighted residual factors for all reflections included in the refinement | 0.1467 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4031952.html
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