Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 1. An Interactive Web-Accessible Teaching Subset of the Cambridge Structural Database
| Autor: | Frank H. Allen, Gary M. Battle, Gregory M. Ferrence |
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| Rok vydání: | 2010 |
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| Zdroj: | Journal of Chemical Education. 87:809-812 |
| ISSN: | 1938-1328 0021-9584 |
| DOI: | 10.1021/ed100256k |
| Popis: | Knowledge of the three-dimensional (3D) nature of chemical compounds is fundamental to the education of every chemist. In this context, the use of experimentally measured 3D structure, as opposed to idealized computationally generated models, is of great pedagogical value. Five hundred structures that have important applications in chemistry and chemical education were carefully selected from the Cambridge Structural Database (CSD) of over half a million small organic and metal−organic crystal structures determined experimentally by X-ray diffraction. The 500-structure teaching subset is available to educators and students via a simple Web interface, with embedded 3D visualization, at no cost. This unique teaching resource provides not only the 3D structure of compounds but also additional chemical information (compound name, molecular formula, etc.) and full publication details with links to the primary literature. In this article, we summarize the composition of the teaching subset and describe how it c... |
| Databáze: | OpenAIRE |
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