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. 2016 Aug 26;147(10):1747–1757. doi: 10.1007/s00706-016-1812-9

Table 1.

Crystal data and structure refinement for compounds 5 and 6

Identification code 5 6
Empirical formula C15H13NO2 C18H19NO4
M r/g cm−3 1.305 1.314
Space group P2 1 /c Iba2
Crystal system Monoclinic Orthorhombic
a 18.877(4) 13.1460(13)
b 16.644(3) 29.598(3)
c 19.387(4) 8.1392(6)
α 90 90
β 91.781(10) 90
γ 90 90
V3 6088(2) 3166.9(5)
Z 20 8
μ/mm−1 0.087 0.093
Reflns collected 126774 17995
Independent reflns 15117 2924
R(int) 0.0638 0.0776
GooF on F 2 1.025 1.033
R 1 [I > 2σ(I)] 0.0579 0.0403
wR 2 (all data) 0.1596 0.0943