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Single crystals suitable for X-ray analysis were obtained by physical vapor transport (PVT) for DPADF1 and DPADF3, and recrystallization from hot chloroform for DPADF2
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Single crystals suitable for X-ray analysis were obtained by physical vapor transport (PVT) for DPADF1 and DPADF3, and recrystallization from hot chloroform for DPADF2.
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84866090868
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Crystal data for DPADF1: C30H18O2, Mr = 410.44, T = 296 K, triclinic, space group P-1, a = 5.8523(6)¡, b = 7.8526(9)¡, c = 21.788(3)¡, ¡ = 98.201(7)°, ¢ = 97.343(7)°, £ = 92.859(6)°, V = 980.53(19)¡3, Z = 2, R1 = 0.0744 (1436 with I > 2·(I)), wR = 0.2486 (all data), GOF = 0.987. DPADF2: C30H18O2, Mr = 410.44, T = 296 K, monoclinic, space group P21/n, a = 12.0004(2)¡, b = 3.92490(10)¡, c = 21.0042(4)¡, ¢ = 99.8721(13)°, V = 974.66(4)¡3, Z = 2, R1 = 0.0583 (965 with I > 2·(I)), wR = 0.2079 (all data), GOF = 1.064. DPADF3: C30H18O2, Mr = 410.44, T = 296 K, triclinic, space grou P-1, a = 6.5300(2)¡, b = 10.7220(3)¡, c = 14.9626(5)¡, ¡ = 78.7993(18)°, ¢ = 84.1453(18)°, £ = 87.279(2)°, V = 1021.88(5)¡3, Z = 2, R1 = 0.0412 (2924 with I > 2·(I)), wR = 0.1161 (all data), GOF = 1.060
-
Crystal data for DPADF1: C30H18O2, Mr = 410.44, T = 296 K, triclinic, space group P-1, a = 5.8523(6)¡, b = 7.8526(9)¡, c = 21.788(3)¡, ¡ = 98.201(7)°, ¢ = 97.343(7)°, £ = 92.859(6)°, V = 980.53(19)¡3, Z = 2, R1 = 0.0744 (1436 with I > 2·(I)), wR = 0.2486 (all data), GOF = 0.987. DPADF2: C30H18O2, Mr = 410.44, T = 296 K, monoclinic, space group P21/n, a = 12.0004(2)¡, b = 3.92490(10)¡, c = 21.0042(4)¡, ¢ = 99.8721(13)°, V = 974.66(4)¡3, Z = 2, R1 = 0.0583 (965 with I > 2·(I)), wR = 0.2079 (all data), GOF = 1.064. DPADF3: C30H18O2, Mr = 410.44, T = 296 K, triclinic, space grou P-1, a = 6.5300(2)¡, b = 10.7220(3)¡, c = 14.9626(5)¡, ¡ = 78.7993(18)°, ¢ = 84.1453(18)°, £ = 87.279(2)°, V = 1021.88(5)¡3, Z = 2, R1 = 0.0412 (2924 with I > 2·(I)), wR = 0.1161 (all data), GOF = 1.060.
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52
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Supporting Information is available electronically on the CSJ-Journal Web site
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Supporting Information is available electronically on the CSJ-Journal Web site, http://www.csj.jp/journals/chem-lett/ index.html.
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