Structure Determination

A section of Molbank (ISSN 1422-8599).

Section Information

Articles submitted to the Structure Determination section should be Short Note articles reporting structure elucidation (most commonly by single-crystal X-ray diffraction) of one compound along with the synthetic procedure and the chemical/spectroscopic characterization. Structures may alternatively be determined by multi-dimensional NMR, electron diffraction, or a combination of techniques. In keeping with the overall aims of Molbank, the goal should be to disseminate synthetic and structural information on organic, element-organic, or metal-organic compounds that might otherwise be lost. Diffraction structure submissions should preferably be deposited with the Crystallography Open Database (COD) or the Cambridge Crystallographic Data Centre (CCDC). For review purposes, submissions must be accompanied by a complete Crystallographic Information File (CIF) including archival refinement and intensity data.


structure determination; crystallography; X-ray diffraction; organic compound; NMR; heteroatom; organometallic

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