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Information card for entry 4036774
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Coordinates | 4036774.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 13 |
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Chemical name | 9,9'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione) bis(chloroform) solvate |
Formula | C74 H40 Cl6 O4 |
Calculated formula | C74 H40 Cl6 O4 |
SMILES | O=C1c2c(C(=O)c3c(cccc13)c1c3C(=O)c4c(c5c6cccc7cccc(c67)c5c(c4C(=O)c3ccc1)c1ccccc1)c1ccccc1)c(c1c3cccc4cccc(c34)c1c2c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
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 | 18.3157 ± 0.001 Å |
b | 18.8183 ± 0.001 Å |
c | 21.1243 ± 0.0012 Å |
α | 87.961 ± 0.0007° |
β | 69.621 ± 0.0007° |
γ | 68.683 ± 0.0007° |
Cell volume | 6323.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1285 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.1813 |
Weighted residual factors for all reflections included in the refinement | 0.2191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4036774.html
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