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. 2012 Feb 4;68(Pt 3):o597. doi: 10.1107/S1600536812003194
O1—C7 1.316 (2) N1—C9' 1.343 (5)
O1—H1 0.8200 N1—C9 1.345 (4)
C1—C6 1.389 (3) N1—C13' 1.346 (5)
C1—C2 1.398 (3) C11—C10' 1.325 (6)
C1—C7 1.488 (3) C11—C12 1.377 (6)
O2—C7 1.207 (2) C11—C12' 1.378 (5)
C2—O3 1.357 (2) C11—C10 1.448 (4)
C2—C3 1.392 (3) C11—C11i 1.490 (4)
O3—C8 1.437 (3) C9—C10 1.382 (5)
C3—C4 1.368 (3) C9—H9 0.9300
C3—H3 0.9300 C10—H10 0.9300
C4—C5 1.362 (4) C12—C13 1.381 (7)
C4—H4 0.9300 C12—H12 0.9300
C5—C6 1.385 (4) C13—H13 0.9300
C5—H5 0.9300 C9'—C10' 1.388 (6)
C6—H6 0.9300 C9'—H9' 0.9300
C8—H8A 0.9600 C10'—H10' 0.9300
C8—H8B 0.9600 C12'—C13' 1.357 (6)
C8—H8C 0.9600 C12'—H12' 0.9300
N1—C13 1.309 (6) C13'—H13' 0.9300
C7—O1—H1 109.5 C10'—C11—C12 110.4 (4)
C6—C1—C2 118.00 (18) C10'—C11—C12' 118.3 (3)
C6—C1—C7 119.65 (19) C12—C11—C10 114.8 (3)
C2—C1—C7 122.34 (17) C12'—C11—C10 112.0 (3)
O3—C2—C3 122.4 (2) C10'—C11—C11i 120.4 (3)
O3—C2—C1 117.74 (17) C12—C11—C11i 123.0 (3)
C3—C2—C1 119.9 (2) C12'—C11—C11i 121.0 (3)
C2—O3—C8 117.29 (17) C10—C11—C11i 122.1 (3)
C4—C3—C2 120.2 (2) N1—C9—C10 120.8 (4)
C4—C3—H3 119.9 N1—C9—H9 119.6
C2—C3—H3 119.9 C10—C9—H9 119.6
C5—C4—C3 121.1 (2) C9—C10—C11 120.2 (4)
C5—C4—H4 119.4 C9—C10—H10 119.9
C3—C4—H4 119.4 C11—C10—H10 119.9
C4—C5—C6 119.1 (2) C11—C12—C13 121.7 (5)
C4—C5—H5 120.4 C11—C12—H12 119.1
C6—C5—H5 120.4 C13—C12—H12 119.1
C5—C6—C1 121.6 (2) N1—C13—C12 122.0 (6)
C5—C6—H6 119.2 N1—C13—H13 119.0
C1—C6—H6 119.2 C12—C13—H13 119.0
O2—C7—O1 122.15 (18) N1—C9'—C10' 124.5 (5)
O2—C7—C1 124.29 (18) N1—C9'—H9' 117.7
O1—C7—C1 113.52 (17) C10'—C9'—H9' 117.7
O3—C8—H8A 109.5 C11—C10'—C9' 119.4 (5)
O3—C8—H8B 109.5 C11—C10'—H10' 120.3
H8A—C8—H8B 109.5 C9'—C10'—H10' 120.3
O3—C8—H8C 109.5 C13'—C12'—C11 118.7 (4)
H8A—C8—H8C 109.5 C13'—C12'—H12' 120.6
H8B—C8—H8C 109.5 C11—C12'—H12' 120.6
C13—N1—C9' 110.4 (4) N1—C13'—C12' 125.4 (4)
C13—N1—C9 120.3 (4) N1—C13'—H13' 117.3
C9'—N1—C13' 113.3 (3) C12'—C13'—H13' 117.3
C9—N1—C13' 112.6 (3)
C6—C1—C2—O3 178.65 (17) C10'—C11—C12—C13 −28.0 (6)
C7—C1—C2—O3 −2.3 (3) C12'—C11—C12—C13 88.6 (12)
C6—C1—C2—C3 −0.2 (3) C10—C11—C12—C13 1.7 (7)
C7—C1—C2—C3 178.92 (18) C11i—C11—C12—C13 179.7 (4)
C3—C2—O3—C8 1.7 (3) C9'—N1—C13—C12 24.7 (7)
C1—C2—O3—C8 −177.1 (2) C9—N1—C13—C12 −3.9 (8)
O3—C2—C3—C4 −179.2 (2) C13'—N1—C13—C12 −77.4 (12)
C1—C2—C3—C4 −0.4 (3) C11—C12—C13—N1 0.5 (9)
C2—C3—C4—C5 0.7 (4) C13—N1—C9'—C10' −23.9 (7)
C3—C4—C5—C6 −0.5 (4) C9—N1—C9'—C10' 93.1 (9)
C4—C5—C6—C1 −0.1 (4) C13'—N1—C9'—C10' −1.4 (7)
C2—C1—C6—C5 0.4 (3) C12—C11—C10'—C9' 28.7 (6)
C7—C1—C6—C5 −178.7 (2) C12'—C11—C10'—C9' 7.6 (7)
C6—C1—C7—O2 151.7 (2) C10—C11—C10'—C9' −76.1 (7)
C2—C1—C7—O2 −27.4 (3) C11i—C11—C10'—C9' −178.2 (4)
C6—C1—C7—O1 −26.2 (3) N1—C9'—C10'—C11 −3.8 (8)
C2—C1—C7—O1 154.75 (18) C10'—C11—C12'—C13' −6.4 (7)
C13—N1—C9—C10 4.8 (8) C12—C11—C12'—C13' −78.6 (12)
C9'—N1—C9—C10 −70.7 (8) C10—C11—C12'—C13' 23.5 (7)
C13'—N1—C9—C10 26.7 (7) C11i—C11—C12'—C13' 179.4 (5)
N1—C9—C10—C11 −2.5 (9) C13—N1—C13'—C12' 89.0 (13)
C10'—C11—C10—C9 86.1 (8) C9'—N1—C13'—C12' 2.6 (8)
C12—C11—C10—C9 −0.7 (7) C9—N1—C13'—C12' −27.3 (8)
C12'—C11—C10—C9 −23.2 (7) C11—C12'—C13'—N1 1.2 (10)
C11i—C11—C10—C9 −178.8 (4)