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. 2008 Nov 29;64(Pt 12):o2464. doi: 10.1107/S1600536808038865
S1A—O3A 1.408 (3) S1B—O3B 1.415 (3)
S1A—O4A 1.415 (3) S1B—O4B 1.417 (3)
S1A—O1A 1.568 (3) S1B—O1B 1.568 (3)
S1A—O2A 1.571 (3) S1B—O2B 1.571 (3)
O1A—C4A 1.427 (5) O1B—C4B 1.435 (5)
O2A—C7A 1.459 (5) O2B—C7B 1.464 (5)
Cl1A—C4'A 1.759 (5) Cl1B—C4'B 1.738 (5)
Cl2A—C8A 1.776 (5) Cl2B—C8B 1.773 (5)
Cl3A—C8A 1.768 (4) Cl3B—C8B 1.780 (4)
Cl4A—C8A 1.765 (5) Cl4B—C8B 1.764 (5)
C1A—C6A 1.394 (6) C1B—C2B 1.388 (6)
C1A—C2A 1.400 (7) C1B—C6B 1.399 (6)
C1A—C1'A 1.493 (6) C1B—C1'B 1.494 (6)
C2A—C3A 1.383 (6) C2B—C3B 1.386 (6)
C2A—H2A 0.9500 C2B—H2B 0.9500
C3A—C4A 1.370 (6) C3B—C4B 1.358 (7)
C3A—H3A 0.9500 C3B—H3B 0.9500
C4A—C5A 1.373 (7) C4B—C5B 1.377 (6)
C5A—C6A 1.395 (6) C5B—C6B 1.394 (6)
C5A—H5A 0.9500 C5B—H5B 0.9500
C6A—H6A 0.9500 C6B—H6B 0.9500
C7A—C8A 1.524 (6) C7B—C8B 1.499 (6)
C7A—H7A1 0.9900 C7B—H7B1 0.9900
C7A—H7A2 0.9900 C7B—H7B2 0.9900
C1'A—C6'A 1.386 (6) C1'B—C6'B 1.392 (6)
C1'A—C2'A 1.406 (7) C1'B—C2'B 1.416 (6)
C2'A—C3'A 1.387 (6) C2'B—C3'B 1.371 (6)
C2'A—H2'A 0.9500 C2'B—H2'B 0.9500
C3'A—C4'A 1.372 (6) C3'B—C4'B 1.375 (7)
C3'A—H3'A 0.9500 C3'B—H3'B 0.9500
C4'A—C5'A 1.392 (7) C4'B—C5'B 1.394 (6)
C5'A—C6'A 1.374 (6) C5'B—C6'B 1.379 (6)
C5'A—H5'A 0.9500 C5'B—H5'B 0.9500
C6'A—H6'A 0.9500 C6'B—H6'B 0.9500
O3A—S1A—O4A 121.9 (2) O3B—S1B—O4B 122.1 (2)
O3A—S1A—O1A 110.81 (17) O3B—S1B—O1B 110.36 (16)
O4A—S1A—O1A 105.03 (18) O4B—S1B—O1B 104.70 (17)
O3A—S1A—O2A 104.68 (17) O3B—S1B—O2B 105.19 (17)
O4A—S1A—O2A 109.64 (18) O4B—S1B—O2B 109.83 (18)
O1A—S1A—O2A 103.31 (17) O1B—S1B—O2B 103.20 (17)
C4A—O1A—S1A 119.9 (3) C4B—O1B—S1B 119.7 (3)
C7A—O2A—S1A 116.3 (2) C7B—O2B—S1B 116.5 (3)
C6A—C1A—C2A 117.5 (4) C2B—C1B—C6B 118.9 (4)
C6A—C1A—C1'A 120.7 (4) C2B—C1B—C1'B 120.4 (4)
C2A—C1A—C1'A 121.7 (4) C6B—C1B—C1'B 120.7 (4)
C3A—C2A—C1A 121.1 (4) C3B—C2B—C1B 120.4 (5)
C3A—C2A—H2A 119.4 C3B—C2B—H2B 119.8
C1A—C2A—H2A 119.4 C1B—C2B—H2B 119.8
C4A—C3A—C2A 119.3 (4) C4B—C3B—C2B 119.1 (5)
C4A—C3A—H3A 120.3 C4B—C3B—H3B 120.5
C2A—C3A—H3A 120.3 C2B—C3B—H3B 120.5
C3A—C4A—C5A 122.0 (4) C3B—C4B—C5B 123.1 (5)
C3A—C4A—O1A 116.8 (4) C3B—C4B—O1B 119.4 (4)
C5A—C4A—O1A 120.9 (4) C5B—C4B—O1B 117.4 (4)
C4A—C5A—C6A 118.2 (4) C4B—C5B—C6B 117.6 (4)
C4A—C5A—H5A 120.9 C4B—C5B—H5B 121.2
C6A—C5A—H5A 120.9 C6B—C5B—H5B 121.2
C1A—C6A—C5A 121.8 (4) C5B—C6B—C1B 120.8 (4)
C1A—C6A—H6A 119.1 C5B—C6B—H6B 119.6
C5A—C6A—H6A 119.1 C1B—C6B—H6B 119.6
O2A—C7A—C8A 107.1 (3) O2B—C7B—C8B 108.2 (3)
O2A—C7A—H7A1 110.3 O2B—C7B—H7B1 110.1
C8A—C7A—H7A1 110.3 C8B—C7B—H7B1 110.1
O2A—C7A—H7A2 110.3 O2B—C7B—H7B2 110.1
C8A—C7A—H7A2 110.3 C8B—C7B—H7B2 110.1
H7A1—C7A—H7A2 108.5 H7B1—C7B—H7B2 108.4
C7A—C8A—Cl4A 110.8 (3) C7B—C8B—Cl4B 111.9 (3)
C7A—C8A—Cl3A 105.5 (3) C7B—C8B—Cl2B 110.8 (3)
Cl4A—C8A—Cl3A 110.6 (3) Cl4B—C8B—Cl2B 108.7 (2)
C7A—C8A—Cl2A 111.2 (3) C7B—C8B—Cl3B 105.9 (3)
Cl4A—C8A—Cl2A 109.3 (2) Cl4B—C8B—Cl3B 110.1 (2)
Cl3A—C8A—Cl2A 109.5 (2) Cl2B—C8B—Cl3B 109.4 (3)
C6'A—C1'A—C2'A 117.9 (4) C6'B—C1'B—C2'B 117.2 (4)
C6'A—C1'A—C1A 121.3 (4) C6'B—C1'B—C1B 121.1 (4)
C2'A—C1'A—C1A 120.9 (4) C2'B—C1'B—C1B 121.7 (4)
C3'A—C2'A—C1'A 120.9 (4) C3'B—C2'B—C1'B 121.3 (4)
C3'A—C2'A—H2'A 119.5 C3'B—C2'B—H2'B 119.4
C1'A—C2'A—H2'A 119.5 C1'B—C2'B—H2'B 119.4
C4'A—C3'A—C2'A 119.0 (4) C2'B—C3'B—C4'B 119.8 (4)
C4'A—C3'A—H3'A 120.5 C2'B—C3'B—H3'B 120.1
C2'A—C3'A—H3'A 120.5 C4'B—C3'B—H3'B 120.1
C3'A—C4'A—C5'A 121.6 (4) C3'B—C4'B—C5'B 120.8 (4)
C3'A—C4'A—Cl1A 119.3 (4) C3'B—C4'B—Cl1B 119.6 (4)
C5'A—C4'A—Cl1A 119.1 (4) C5'B—C4'B—Cl1B 119.6 (4)
C6'A—C5'A—C4'A 118.5 (4) C6'B—C5'B—C4'B 119.0 (4)
C6'A—C5'A—H5'A 120.8 C6'B—C5'B—H5'B 120.5
C4'A—C5'A—H5'A 120.8 C4'B—C5'B—H5'B 120.5
C5'A—C6'A—C1'A 122.1 (5) C5'B—C6'B—C1'B 121.9 (4)
C5'A—C6'A—H6'A 118.9 C5'B—C6'B—H6'B 119.0
C1'A—C6'A—H6'A 118.9 C1'B—C6'B—H6'B 119.0
O3A—S1A—O1A—C4A 32.4 (4) O3B—S1B—O1B—C4B −38.3 (4)
O4A—S1A—O1A—C4A 165.9 (3) O4B—S1B—O1B—C4B −171.3 (3)
O2A—S1A—O1A—C4A −79.2 (3) O2B—S1B—O1B—C4B 73.7 (3)
O3A—S1A—O2A—C7A −176.8 (3) O3B—S1B—O2B—C7B −177.1 (3)
O4A—S1A—O2A—C7A 50.8 (3) O4B—S1B—O2B—C7B −44.0 (4)
O1A—S1A—O2A—C7A −60.8 (3) O1B—S1B—O2B—C7B 67.2 (3)
C6A—C1A—C2A—C3A 2.1 (7) C6B—C1B—C2B—C3B −3.4 (7)
C1'A—C1A—C2A—C3A −179.8 (4) C1'B—C1B—C2B—C3B 176.3 (4)
C1A—C2A—C3A—C4A −1.6 (7) C1B—C2B—C3B—C4B 0.3 (6)
C2A—C3A—C4A—C5A −0.3 (7) C2B—C3B—C4B—C5B 2.3 (7)
C2A—C3A—C4A—O1A −174.5 (4) C2B—C3B—C4B—O1B −174.6 (4)
S1A—O1A—C4A—C3A −116.3 (4) S1B—O1B—C4B—C3B −90.7 (4)
S1A—O1A—C4A—C5A 69.5 (5) S1B—O1B—C4B—C5B 92.3 (4)
C3A—C4A—C5A—C6A 1.6 (7) C3B—C4B—C5B—C6B −1.6 (7)
O1A—C4A—C5A—C6A 175.5 (4) O1B—C4B—C5B—C6B 175.3 (4)
C2A—C1A—C6A—C5A −0.8 (6) C4B—C5B—C6B—C1B −1.6 (7)
C1'A—C1A—C6A—C5A −179.0 (4) C2B—C1B—C6B—C5B 4.0 (7)
C4A—C5A—C6A—C1A −1.0 (7) C1'B—C1B—C6B—C5B −175.7 (4)
S1A—O2A—C7A—C8A −146.0 (3) S1B—O2B—C7B—C8B 143.8 (3)
O2A—C7A—C8A—Cl4A −55.9 (4) O2B—C7B—C8B—Cl4B −61.5 (4)
O2A—C7A—C8A—Cl3A −175.6 (3) O2B—C7B—C8B—Cl2B 59.9 (4)
O2A—C7A—C8A—Cl2A 65.8 (4) O2B—C7B—C8B—Cl3B 178.4 (3)
C6A—C1A—C1'A—C6'A −162.8 (4) C2B—C1B—C1'B—C6'B −41.0 (6)
C2A—C1A—C1'A—C6'A 19.1 (7) C6B—C1B—C1'B—C6'B 138.6 (5)
C6A—C1A—C1'A—C2'A 18.2 (6) C2B—C1B—C1'B—C2'B 138.2 (5)
C2A—C1A—C1'A—C2'A −159.9 (4) C6B—C1B—C1'B—C2'B −42.1 (6)
C6'A—C1'A—C2'A—C3'A −0.1 (7) C6'B—C1'B—C2'B—C3'B −1.1 (7)
C1A—C1'A—C2'A—C3'A 178.9 (4) C1B—C1'B—C2'B—C3'B 179.6 (4)
C1'A—C2'A—C3'A—C4'A −0.7 (7) C1'B—C2'B—C3'B—C4'B 0.9 (7)
C2'A—C3'A—C4'A—C5'A 2.0 (7) C2'B—C3'B—C4'B—C5'B −0.8 (7)
C2'A—C3'A—C4'A—Cl1A −178.0 (3) C2'B—C3'B—C4'B—Cl1B 179.2 (3)
C3'A—C4'A—C5'A—C6'A −2.5 (7) C3'B—C4'B—C5'B—C6'B 0.9 (7)
Cl1A—C4'A—C5'A—C6'A 177.6 (3) Cl1B—C4'B—C5'B—C6'B −179.0 (3)
C4'A—C5'A—C6'A—C1'A 1.6 (7) C4'B—C5'B—C6'B—C1'B −1.2 (7)
C2'A—C1'A—C6'A—C5'A −0.4 (7) C2'B—C1'B—C6'B—C5'B 1.3 (7)
C1A—C1'A—C6'A—C5'A −179.4 (4) C1B—C1'B—C6'B—C5'B −179.5 (4)