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Information card for entry 7117512
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Coordinates | 7117512.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 N2 |
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Calculated formula | C12 H10 N2 |
SMILES | n1(cc(c2ccccc12)/C=C/C#N)C |
Title of publication | Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles |
Authors of publication | R. N. Prasad Tulichala; K. C. Kumara Swamy |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 12008 |
a | 9.0822 ± 0.0011 Å |
b | 14.3844 ± 0.0018 Å |
c | 7.6234 ± 0.001 Å |
α | 90° |
β | 92.165 ± 0.002° |
γ | 90° |
Cell volume | 995.2 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/7117512.html
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