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46949086748
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Crystal data for 1a: C21H31CuNO3, MW, 409.06, orthorhombic; P212121; a, 6.2168(7) Å, b, 16.4734(18) Å, c, 21.668(2) Å; α, 90°, β, 90°, γ, 90°; V, 2219.0(4) Å3; Z, 2, Dcalcd, 1.224 mgm-3; T, 296 (2) K; Scan range 6.26° < θ < 28.32°; cryst dimension 0.50 x 0.16 x 0.10 mm3; 5416 reflns, 4428 unique reflections; (I > 2σ(I, R 1, 0.0360; wR2, 0.0785 (all data, GOF on F 2, 1.016
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2) = 1.016.
-
-
-
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24
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46949101839
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Crystal data for 1b: C17H22CuN 2O5, MW, 397.92, orthorhombic; P21, a, 10.92(3) Å, b, 6.47(1) Å, c, 13.84(3) Å; α, 90°, β, 100°, γ, 90°; V, 963.68 (4) Å3; Z, 2, Dcalcd, 1.371 mgm-3, T, 296(2) K; Scan range 1.6° < θ < 28.59°; cryst dimension 0.45 x 0.20 x 0.08 mm3; 4297 reflns; 3347 unique reflns; (I > Iσ(I, R1, 0.0336, wR2, 0.0733 (all data, GOF on F2, 1.001
-
2) = 1.001.
-
-
-
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25
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46949086298
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Crystal data for 1c: C17H22CuBrNO 3, MW, 431.81, orthorhombic, P21 a, 11.65(8) Å, b, 7.29(6) Å, c, 12.03(9) Å; α, 90°, β, 113°, γ, 90°; V, 935.29(12) Å3; Z, 2, Dcalcd, 145 mgm -3; T, 296(2) K; Scan range 1.57° < θ < 28.85°; cryst size 0.50 x 0.12 x 0.07 mm3; 4139 reflns; 3317 unique reflns; (I > 2σ(I, R1, 0.1330; wR2, 0.3824, all data, GOF (on F2) x 1.603
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2) x 1.603.
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