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Information card for entry 4030031
Preview
Coordinates | 4030031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H19 N3 O |
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Calculated formula | C23 H19 N3 O |
SMILES | n1(c(n(cc1)=NC(=O)c1ccccc1)c1ccccc1)Cc1ccccc1 |
Title of publication | Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides. |
Authors of publication | Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 10593 |
a | 8.2888 ± 0.0004 Å |
b | 10.3643 ± 0.0005 Å |
c | 10.9122 ± 0.0006 Å |
α | 91.612 ± 0.004° |
β | 100.785 ± 0.004° |
γ | 102.962 ± 0.004° |
Cell volume | 895.01 ± 0.08 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030031.html
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