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Information card for entry 1516380
Preview
Coordinates | 1516380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H20 N2 |
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Calculated formula | C23 H20 N2 |
SMILES | N(c1cc(c(cc1)/C(=C/c1ccccc1)C)C)c1ccc(cc1)C#N |
Title of publication | Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. |
Authors of publication | Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2009 |
Journal volume | 113 |
Journal issue | 17 |
Pages of publication | 4868 - 4877 |
a | 16.0282 ± 0.0003 Å |
b | 13.2482 ± 0.0003 Å |
c | 8.2983 ± 0.0002 Å |
α | 90° |
β | 100.83 ± 0.002° |
γ | 90° |
Cell volume | 1730.72 ± 0.07 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0743 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.1611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516380.html
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