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Information card for entry 4036775
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Coordinates | 4036775.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 21 |
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Chemical name | 9,9'-bis(7,14-diphenyl-10-methoxynaphtho[2,3-k]fluoranthene-8,13-dione) tetra(benzene) solvate |
Formula | C98 H66 O6 |
Calculated formula | C98 H66 O6 |
Title of publication | Hairpin Furans and Giant Biaryls. |
Authors of publication | Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3838 - 3847 |
a | 17.3959 ± 0.0013 Å |
b | 20.6614 ± 0.0015 Å |
c | 20.8647 ± 0.0016 Å |
α | 90° |
β | 110.422 ± 0.001° |
γ | 90° |
Cell volume | 7027.9 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2008 |
Residual factor for significantly intense reflections | 0.0872 |
Weighted residual factors for significantly intense reflections | 0.179 |
Weighted residual factors for all reflections included in the refinement | 0.2425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4036775.html
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