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Information card for entry 1543208
Preview
Coordinates | 1543208.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H27 N |
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Calculated formula | C39 H27 N |
SMILES | c1ccc(c2ccc(c3ccccc3)c(c2)C(=C\c2c(c3ccccc3)ccc(c2)c2ccccc2)\C#N)cc1 |
Title of publication | Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers |
Authors of publication | Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang |
Journal of publication | Polym. Chem. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 21 |
Pages of publication | 3496 |
a | 14.249 ± 0.005 Å |
b | 11.262 ± 0.005 Å |
c | 17.886 ± 0.006 Å |
α | 90° |
β | 104.314 ± 0.011° |
γ | 90° |
Cell volume | 2781.1 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.217 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1546 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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