C30H18-1

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1,8-bis(phenylethynyl)anthracene.


Experimental GED re structure <bib id="LammOBC2015" />:

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48

GEDRe

C 0.000000000 0.000000000 0.000000000 C 1.392900000 0.000000000 0.000000000 C -0.734600000 -1.183500000 0.000000000 C 2.084500000 -1.259800000 -0.014900000 C -0.029000000 -2.435400000 0.014900000 C 1.364200000 -2.452500000 0.000100000 C -2.156700000 -1.189000000 -0.012800000 C -2.842400000 -2.366900000 -0.009400000 C -2.147000000 -3.594600000 0.020500000 C -0.771400000 -3.672800000 0.041500000 C 2.147700000 1.205400000 0.012700000 C 3.510000000 1.166800000 0.009200000 C 4.186300000 -0.071600000 -0.020700000 C 3.527300000 -1.281600000 -0.041600000 C -0.085100000 -4.916600000 0.106200000 C 0.493400000 -5.972400000 0.163200000 C 1.198800000 -7.208400000 0.218300000 C 0.603600000 -8.392000000 -0.267800000 C 2.496900000 -7.274100000 0.767100000 C 1.290200000 -9.602900000 -0.205900000 C 3.176300000 -8.489900000 0.825300000 C 2.576800000 -9.656400000 0.340200000 C 4.222100000 -2.520700000 -0.106300000 C 4.814100000 -3.569000000 -0.163300000 C 5.492100000 -4.820200000 -0.218400000 C 6.811800000 -4.938700000 0.267600000 C 4.863300000 -5.957700000 -0.767100000 C 7.478500000 -6.160700000 0.205600000 C 5.538000000 -7.176100000 -0.825300000 C 6.845300000 -7.282000000 -0.340300000 H -0.527400000 0.952100000 0.000000000 H 1.904000000 -3.394200000 -0.000300000 H -2.681500000 -0.236600000 -0.026900000 H -3.929000000 -2.374400000 -0.022500000 H -2.704400000 -4.526300000 0.037900000 H 1.615200000 2.153500000 0.026700000 H 4.089500000 2.085900000 0.022200000 H 5.271900000 -0.089400000 -0.038200000 H -0.395400000 -8.346500000 -0.691600000 H 0.820100000 -10.507000000 -0.584200000 H 3.109900000 -10.602200000 0.389000000 H 4.175200000 -8.524700000 1.252000000 H 2.958800000 -6.368600000 1.148400000 H 7.299900000 -4.065900000 0.691300000 H 8.494600000 -6.238000000 0.583900000 H 7.367700000 -8.233700000 -0.389100000 H 5.040800000 -8.043200000 -1.251900000 H 3.850400000 -5.872700000 -1.148300000

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