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Information card for entry 4036773
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Coordinates | 4036773.cif |
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Original paper (by DOI) | HTML |
Common name | Compound 10 |
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Chemical name | 7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione bis(chloroform) solvate |
Formula | C38 H22 Cl6 O2 |
Calculated formula | C38 H22 Cl6 O2 |
SMILES | c1c2C(=O)c3c(c4c5cccc6cccc(c4c(c3C(=O)c2ccc1)c1ccccc1)c56)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 | 12.5451 ± 0.0007 Å |
b | 29.7417 ± 0.0018 Å |
c | 8.8141 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3288.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0604 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1326 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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