Zeitschrift für Kristallographie - New Crystal Structures (Aug 2018)

Crystal structure of caffeinium triiodide – caffeine (1/1), C16H21I3N8O4

  • Merkelbach Johannes,
  • Majewski Martha A.,
  • Reiss Guido J.

DOI
https://doi.org/10.1515/ncrs-2018-0125
Journal volume & issue
Vol. 233, no. 5
pp. 941 – 944

Abstract

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C16H21I3N8O4, monoclinic, P21/n (no. 14), a = 14.7257(7) Å, b = 10.5712(5) Å, c = 16.7501(8) Å, β = 114.408(2)°, V = 2374.4(2) Å3, Z = 4, Rgt(F) = 0.0254, wRref(F2) = 0.0760, T = 290(2) K.

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