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Information card for entry 4031769
Preview
Coordinates | 4031769.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H36 N2 O4 |
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Calculated formula | C44 H36 N2 O4 |
SMILES | c1(cc2c3c(c1)ccc1cc(cc(cc2)c31)N(c1ccc(OC)cc1)c1ccc(OC)cc1)N(c1ccc(OC)cc1)c1ccc(OC)cc1 |
Title of publication | Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene. |
Authors of publication | Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 1 |
Pages of publication | 137 - 145 |
a | 10.5157 ± 0.0007 Å |
b | 10.6941 ± 0.0007 Å |
c | 15.312 ± 0.001 Å |
α | 90° |
β | 106.942 ± 0.004° |
γ | 90° |
Cell volume | 1647.19 ± 0.19 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.1094 |
Weighted residual factors for all reflections included in the refinement | 0.1203 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4031769.html
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