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Information card for entry 4033008
Preview
Coordinates | 4033008.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N3 O |
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Calculated formula | C18 H19 N3 O |
Title of publication | Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions. |
Authors of publication | Chandrasekhar, Attoor; Sankararaman, Sethuraman |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11487 - 11493 |
a | 6.8573 ± 0.0006 Å |
b | 11.8742 ± 0.001 Å |
c | 19.7672 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1609.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0867 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4033008.html
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Users of the data should acknowledge the original authors of the
structural data.