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Information card for entry 4029211
Preview
Coordinates | 4029211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H19 N3 |
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Calculated formula | C29 H19 N3 |
SMILES | n1c(c(nc2c1cc1ccccc1c2)c1cn(c2ccccc12)C)C#Cc1ccccc1 |
Title of publication | Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure. |
Authors of publication | Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 8 |
Pages of publication | 3296 - 3310 |
a | 13.008 ± 0.0005 Å |
b | 12.3345 ± 0.0007 Å |
c | 13.6514 ± 0.0005 Å |
α | 90° |
β | 101.532 ± 0.003° |
γ | 90° |
Cell volume | 2146.11 ± 0.17 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4029211.html
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