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Information card for entry 4003437
Preview
Coordinates | 4003437.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H28 N3 |
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Calculated formula | C39 H28 N3 |
SMILES | N1(N=C([N]c2c1cccc2)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1 |
Title of publication | Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers |
Authors of publication | Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 24 |
Pages of publication | 10256 |
a | 10.8315 ± 0.0006 Å |
b | 10.9695 ± 0.0005 Å |
c | 14.0301 ± 0.0006 Å |
α | 96.526 ± 0.004° |
β | 110.256 ± 0.003° |
γ | 105.326 ± 0.004° |
Cell volume | 1469 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1012 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1539 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 1.54178 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/4003437.html
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