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Information card for entry 4037212
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Coordinates | 4037212.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 N2 |
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Calculated formula | C22 H16 N2 |
Title of publication | Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles. |
Authors of publication | Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9188 - 9198 |
a | 7.361 ± 0.002 Å |
b | 7.922 ± 0.002 Å |
c | 15.443 ± 0.005 Å |
α | 93.97 ± 0.03° |
β | 103.51 ± 0.03° |
γ | 107.9 ± 0.03° |
Cell volume | 823.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1078 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1444 |
Weighted residual factors for all reflections included in the refinement | 0.1626 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037212.html
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Users of the data should acknowledge the original authors of the
structural data.