| Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon. | |
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MedLine Citation:
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PMID: 22331198 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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The experimental electron density of sumanene, C(21)H(12), was extracted from a high resolution X-ray data set measured at 100 K and topologically analyzed. In addition to bond topological and atomic properties, information about the density distribution between adjacent molecules, which show close CC approaches of ∼3.4 Å within the columnar π-stacks in the crystal lattice, are discussed. A comparison is made with the electron density of the related corannulene molecule based also on the analysis of Electron Localizability Indicator (ELI-D) calculations. |
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Authors:
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Stefan Mebs; Manuela Weber; Peter Luger; Bernd M Schmidt; Hidehiro Sakurai; Shuhei Higashibayashi; Satoru Onogi; Dieter Lentz |
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Publication Detail:
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Type: Journal Article Date: 2012-02-14 |
Journal Detail:
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Title: Organic & biomolecular chemistry Volume: 10 ISSN: 1477-0539 ISO Abbreviation: Org. Biomol. Chem. Publication Date: 2012 Mar |
Date Detail:
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Created Date: 2012-02-24 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101154995 Medline TA: Org Biomol Chem Country: England |
Other Details:
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Languages: eng Pagination: 2218-22 Citation Subset: IM |
Affiliation:
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Freie Universität Berlin, Institut für Chemie und Biochemie - Anorganische Chemie, Fabeckstr. 34-36 und Fabeckstr. 36a, 14195 Berlin, Germany. lentz@chemie.fu-berlin.de. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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