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- W2039292502 abstract "The crystal structures of the dispiro compounds 1,3,4,8,10,11-Hexaphenyl-13-methyl-1,2,8,9,13-pentaazadispiro[4.1.4.3]tetradeca-2,9-dien-6-one (3a) and 4,11-Bis(4-methoxyphenyl)-13-methyl-1,3,8,10-tetraphenyl-1,2,8,9,13-pentaazadispiro-[4.1.4.3]tetradeca-2,9-dien-6-one (3b) have been determined at room temperature from X-ray powder diffraction data using the method of simulated annealing as implemented in the programs DASH and TOPAS. Subsequent Rietveld refinements using the data collected to 1.5 Å resolution yielded R-Bragg values of 2.2% for (3a) and 3.7% for (3b). It was found, that both compounds crystallize in the monoclinc space group P 21/n with lattice parameters of a = 17.1656(5) Å, b =13.8128(3) Å, c = 16.1016(5) Å, and β = 103.7330(2)° for (3a) and a = 17.2529(8) Å, b = 13.8729(5) Å, c =16.1287(10) Å, and β = 103.6910(3)° for (3b). Both compounds exhibit a distorted hexagonal close type of packing (hcp) of the molecular centers of gravity. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
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- W2039292502 date "2008-02-01" @default.
- W2039292502 modified "2023-09-27" @default.
- W2039292502 title "Synthesis and crystal structure determination of two dispiro compounds from laboratory x-ray powder diffraction data" @default.
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- W2039292502 doi "https://doi.org/10.1002/crat.200710976" @default.
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