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- W4241781026 abstract "Abstract The crystal structure of triphenylene, C 18 H 12 , at room temperature has been examined by neutron diffraction. Refinement of positional parameters and anisotropic temperature factors for all atoms gave a final R value of 0.048 over 810 independent reflections from a single crystal. Estimated standard deviations of carbon-atom positional parameters are about 0.007 Å (comparable with those from an earlier x-ray analysis) and those of hydrogen atoms are about 0.015 Å. Some of the differences between carbon-atom positions deduced from the two analyses may be significant. Molecular overcrowding is relieved by small deviations from exact planarity, possible departures of inter-bond angles from 120°, and changes in C–H bond lengths, so that intra-hydrogen-atom distances across the bay regions are about 1.9 Å." @default.
- W4241781026 created "2022-05-12" @default.
- W4241781026 date "1973-08-01" @default.
- W4241781026 modified "2023-10-16" @default.
- W4241781026 title "A neutron-diffraction study of the crystal and molecular structure of triphenylene*" @default.
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- W4241781026 doi "https://doi.org/10.1524/zkri.1973.138.1-4.113" @default.
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