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Topological analyses of experimental and theoretical calculated electron densities of 1,3,5,7-tetra-tert-butyl-s-indacene provide bond characterizations of the chemical bond and of the π-delocalization. A weak Csp3—H...H—Csp2-type intramolecular dihydrogen interaction (DHI) is identified through this analysis.

Supporting information

sgml

Standard Generalized Markup Language (SGML) file https://doi.org/10.1107/S0108767304015375/xc5003sup1.cif
Supplementary material

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108767304015375/xc5003sup2.hkl
Supplementary material


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