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Information card for entry 4037181
Preview
Coordinates | 4037181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H15 N3 |
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Calculated formula | C22 H15 N3 |
SMILES | c1c(cccc1)C1N=C(c2ccccc2)C(=N#N)C=1c1ccccc1 |
Title of publication | Synthesis and Intramolecular Azo Coupling of 4-Diazopyrrole-2-carboxylates: Selective Approach to Benzo and Hetero [c]-Fused 6H-Pyrrolo[3,4-c]pyridazine-5-carboxylates. |
Authors of publication | Galenko, Ekaterina E.; Galenko, Alexey V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shakirova, Julia R. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 18 |
Pages of publication | 8495 - 8507 |
a | 7.67729 ± 0.00019 Å |
b | 11.606 ± 0.0003 Å |
c | 18.358 ± 0.0004 Å |
α | 90° |
β | 98.515 ± 0.002° |
γ | 90° |
Cell volume | 1617.72 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/4037181.html
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