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Information card for entry 4023791
Preview
Coordinates | 4023791.cif |
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Original paper (by DOI) | HTML |
Common name | 2-Phenyl-pyrido[1,2-a][1,2,4]-triazol-2-ium hexafluorophosphate |
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Formula | C12 H10 F6 N3 P |
Calculated formula | C12 H10 F6 N3 P |
Title of publication | Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis |
Authors of publication | Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 8256 - 8264 |
a | 5.9208 ± 0.0019 Å |
b | 30.045 ± 0.009 Å |
c | 7.824 ± 0.002 Å |
α | 90° |
β | 108.27 ± 0.02° |
γ | 90° |
Cell volume | 1321.6 ± 0.7 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1358 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1791 |
Weighted residual factors for all reflections included in the refinement | 0.2043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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