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Information card for entry 7216897
Preview
Coordinates | 7216897.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 N4 O |
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Calculated formula | C21 H20 N4 O |
SMILES | N(=N/c1ccc(cc1)C)\c1c(c(/N=N/c2ccc(cc2)C)c(O)cc1)C |
Title of publication | The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues |
Authors of publication | Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2001 |
Journal issue | 20 |
Pages of publication | 2669 |
a | 18.942 ± 0.004 Å |
b | 20.515 ± 0.003 Å |
c | 4.6558 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1809.2 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1883 |
Residual factor for significantly intense reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.1656 |
Weighted residual factors for all reflections included in the refinement | 0.2121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7216897.html
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