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Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
Four different structural models, which all fit the same X-ray powder pattern, were obtained in the structure determination of 4,11-difluoroquinacridone (C(20)H(10)N(2)O(2)F(2)) from unindexed X-ray powder data by a global fit. The models differ in their lattice parameters, space groups, Z, Z′, mo...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9252154/ https://www.ncbi.nlm.nih.gov/pubmed/35844476 http://dx.doi.org/10.1107/S2052252522004237 |