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42049117277
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Crystal data for 15a: C13H16N 2O5S; M, 306,3: T, 213 (2) K; λ, 0.71073 Å; Colorless prism; 0.3 x 0.3 x 0.2 mm3; Triclinic; space group P-1; Unit cell dimensions a, 8.030 (2) Å, b, 8.624 (3) Å, c, 10.148 (2) Å, α, 86.81 (2)°, β, 76.02 (2)°, γ, 77.43 (2)°, V, 665.6 (3) Å3, Z, 2, Dcalcd, 1.528 gcm-3; F(000, 316, μ, 0.267 mm-1; Theta range for data collection 2.4° to 28.2°; Index ranges -10 ≤ h ≤ 10, 11 ≤ k ≤ 11, 13 ≤ l ≤ 13; Reflections collected 6555; Independent reflections 2997 [Rint, 0.052, Final R indices [I > 2σ(I, R1, 0.0463, wR2, 0.0626; R indices (all data) R1, 0.0626, wR2, 0.1283; Largest diff. Peak/hole 0.335/-0.4
-
-3.
-
-
-
-
34
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-
42049110495
-
-
Crystal data for 18d: C16H17N 3O4S·H2O; M, 365.4; T, 213 (2) K; λ, 0.71073 Å; Colorless prism; 0.2 x 0.2 x 0.2 mm3; Triclinic; Space group P-1; Unit cell dimensions a, 8.163 (2) Å, b, 8.906 (2) Å, c, 11.862 (4) Å, α, 83.76 (2)°, β, 87.82 (2)°, γ, 81.28 (2)°, V, 847.1 (4) Å3, Z, 2, Dcalcd, 1.433 gcm-3; F(000, 384, μ, 0.224 mm-1; Theta range for data collection 2.5° to 28.1°; Index ranges -10 ≤ h ≤ 10, 11 ≤ k ≤ 11, 15 ≤ l ≤ 15; Reflections collected 8243; Independent reflections 3779 [Rint, 0.033, Final R indices [I > 2σ(I, R1, 0.0363, wR2, 0.0982; R indices (all data) R1, 0.0463, wR2, 0.1018; Largest diff. Peak
-
-3.
-
-
-
-
35
-
-
42049104710
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Crystal data for 19b: C14H13N 3O4S; M, 319.3; T, 213 (2) K; λ, 0.71073 Å; Colorless prism; 0.3 x 0.2 x 0.2 mm3; Orthorhombic; Space group Pna21; Unit cell dimensions a, 10.811 (1) Å, b, 12.632 (1) Å, c, 10.654 (1) Å, V, 1455.0(2) Å3, Z, 4, Dcalcd, 1.458 gcm -3; F(000, 664, μ, 0.245 mm-1; Theta range for data collection 2.5° to 26.0°; Index ranges -13 ≤ h ≤ 13, 15 ≤ k ≤ 15, 13 ≤ l ≤ 13; Reflections collected 10986; Independent reflections 2828 [Rint, 0.038, Final R indices [I > 2σ(I, R1, 0.0259, wR2, 0.0673; R indices (all data) R1, 0.0281, wR2, 0.0681; Largest diff. Peak/hole 0.183/-0.136 e Å-3
-
-3.
-
-
-
-
36
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0029051023
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Enders, D.; Plant, A.; Backhaus, D.; Reinhold, U. Tetrahedron 1995, 51, 10699.
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Enders, D.1
Plant, A.2
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Reinhold, U.4
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38
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42049085420
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The details of the structure analyses for compounds 15a, 18d, and 19b have been deposited at the Cambridge Crystallographic Data Centre with the numbers CCDC-651832, -651831 and -651833, respectively. The copies of the data can be obtained, free of charge, from CCDC, 12 Union Road, Cambridge, CB2 1EZ UK (fax: +44 1233 336033; e-Mail: deposit@ccdc.cam.ac.uk, internet: http://www.ccdc.cam.ac.uk).
-
The details of the structure analyses for compounds 15a, 18d, and 19b have been deposited at the Cambridge Crystallographic Data Centre with the numbers CCDC-651832, -651831 and -651833, respectively. The copies of the data can be obtained, free of charge, from CCDC, 12 Union Road, Cambridge, CB2 1EZ UK (fax: +44 1233 336033; e-Mail: deposit@ccdc.cam.ac.uk, internet: http://www.ccdc.cam.ac.uk).
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