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. 2012 Mar 3;68(Pt 4):o944. doi: 10.1107/S1600536812008343
S1—O2 1.4954 (15) C11—C12 1.515 (4)
S1—C1 1.7620 (17) C11—H11A 0.9900
S1—C21 1.783 (2) C11—H11B 0.9900
F1—C17 1.355 (3) C12—C13 1.505 (4)
O1—C8 1.372 (2) C12—H12A 0.9900
O1—C7 1.378 (2) C12—H12B 0.9900
C1—C8 1.361 (3) C13—C14 1.523 (3)
C1—C2 1.443 (2) C13—H13A 0.9900
C2—C7 1.393 (3) C13—H13B 0.9900
C2—C3 1.395 (2) C14—H14A 0.9900
C3—C4 1.381 (2) C14—H14B 0.9900
C3—H3 0.9500 C15—C16 1.383 (3)
C4—C5 1.407 (3) C15—C20 1.389 (3)
C4—C9 1.516 (3) C16—C17 1.378 (3)
C5—C6 1.385 (3) C16—H16 0.9500
C5—H5 0.9500 C17—C18 1.370 (3)
C6—C7 1.376 (3) C18—C19 1.379 (3)
C6—H6 0.9500 C18—H18 0.9500
C8—C15 1.465 (2) C19—C20 1.389 (3)
C9—C10 1.520 (3) C19—H19 0.9500
C9—C14 1.524 (3) C20—H20 0.9500
C9—H9 1.0000 C21—H21A 0.9800
C10—C11 1.527 (3) C21—H21B 0.9800
C10—H10A 0.9900 C21—H21C 0.9800
C10—H10B 0.9900
O2—S1—C1 106.69 (9) C10—C11—H11B 109.3
O2—S1—C21 105.37 (10) H11A—C11—H11B 107.9
C1—S1—C21 98.93 (9) C13—C12—C11 111.69 (19)
C8—O1—C7 106.23 (14) C13—C12—H12A 109.3
C8—C1—C2 106.92 (15) C11—C12—H12A 109.3
C8—C1—S1 125.59 (13) C13—C12—H12B 109.3
C2—C1—S1 126.83 (13) C11—C12—H12B 109.3
C7—C2—C3 118.91 (16) H12A—C12—H12B 107.9
C7—C2—C1 104.97 (15) C12—C13—C14 111.0 (2)
C3—C2—C1 136.11 (17) C12—C13—H13A 109.4
C4—C3—C2 119.48 (17) C14—C13—H13A 109.4
C4—C3—H3 120.3 C12—C13—H13B 109.4
C2—C3—H3 120.3 C14—C13—H13B 109.4
C3—C4—C5 119.46 (17) H13A—C13—H13B 108.0
C3—C4—C9 120.00 (17) C13—C14—C9 111.42 (18)
C5—C4—C9 120.51 (16) C13—C14—H14A 109.3
C6—C5—C4 122.35 (17) C9—C14—H14A 109.3
C6—C5—H5 118.8 C13—C14—H14B 109.3
C4—C5—H5 118.8 C9—C14—H14B 109.3
C7—C6—C5 116.31 (17) H14A—C14—H14B 108.0
C7—C6—H6 121.8 C16—C15—C20 119.90 (18)
C5—C6—H6 121.8 C16—C15—C8 119.84 (18)
C6—C7—O1 125.82 (17) C20—C15—C8 120.22 (18)
C6—C7—C2 123.48 (17) C17—C16—C15 118.6 (2)
O1—C7—C2 110.69 (15) C17—C16—H16 120.7
C1—C8—O1 111.19 (15) C15—C16—H16 120.7
C1—C8—C15 132.60 (17) F1—C17—C18 119.79 (19)
O1—C8—C15 116.14 (16) F1—C17—C16 117.5 (2)
C4—C9—C10 113.34 (18) C18—C17—C16 122.7 (2)
C4—C9—C14 110.48 (16) C17—C18—C19 118.5 (2)
C10—C9—C14 111.02 (18) C17—C18—H18 120.8
C4—C9—H9 107.2 C19—C18—H18 120.8
C10—C9—H9 107.2 C18—C19—C20 120.4 (2)
C14—C9—H9 107.2 C18—C19—H19 119.8
C9—C10—C11 111.7 (2) C20—C19—H19 119.8
C9—C10—H10A 109.3 C19—C20—C15 119.9 (2)
C11—C10—H10A 109.3 C19—C20—H20 120.0
C9—C10—H10B 109.3 C15—C20—H20 120.0
C11—C10—H10B 109.3 S1—C21—H21A 109.5
H10A—C10—H10B 107.9 S1—C21—H21B 109.5
C12—C11—C10 111.8 (2) H21A—C21—H21B 109.5
C12—C11—H11A 109.3 S1—C21—H21C 109.5
C10—C11—H11A 109.3 H21A—C21—H21C 109.5
C12—C11—H11B 109.3 H21B—C21—H21C 109.5
O2—S1—C1—C8 133.15 (16) C7—O1—C8—C15 −176.61 (15)
C21—S1—C1—C8 −117.75 (17) C3—C4—C9—C10 125.5 (2)
O2—S1—C1—C2 −36.29 (18) C5—C4—C9—C10 −56.7 (2)
C21—S1—C1—C2 72.81 (18) C3—C4—C9—C14 −109.2 (2)
C8—C1—C2—C7 1.11 (19) C5—C4—C9—C14 68.6 (2)
S1—C1—C2—C7 172.15 (13) C4—C9—C10—C11 178.61 (19)
C8—C1—C2—C3 −177.8 (2) C14—C9—C10—C11 53.6 (3)
S1—C1—C2—C3 −6.8 (3) C9—C10—C11—C12 −53.3 (3)
C7—C2—C3—C4 0.6 (3) C10—C11—C12—C13 54.5 (3)
C1—C2—C3—C4 179.4 (2) C11—C12—C13—C14 −55.9 (3)
C2—C3—C4—C5 −0.4 (3) C12—C13—C14—C9 56.4 (3)
C2—C3—C4—C9 177.44 (16) C4—C9—C14—C13 178.2 (2)
C3—C4—C5—C6 0.0 (3) C10—C9—C14—C13 −55.2 (3)
C9—C4—C5—C6 −177.75 (18) C1—C8—C15—C16 39.0 (3)
C4—C5—C6—C7 0.0 (3) O1—C8—C15—C16 −144.42 (19)
C5—C6—C7—O1 −178.59 (17) C1—C8—C15—C20 −139.0 (2)
C5—C6—C7—C2 0.2 (3) O1—C8—C15—C20 37.6 (2)
C8—O1—C7—C6 178.97 (17) C20—C15—C16—C17 2.5 (3)
C8—O1—C7—C2 0.04 (19) C8—C15—C16—C17 −175.5 (2)
C3—C2—C7—C6 −0.5 (3) C15—C16—C17—F1 −179.1 (2)
C1—C2—C7—C6 −179.67 (17) C15—C16—C17—C18 −1.3 (4)
C3—C2—C7—O1 178.43 (15) F1—C17—C18—C19 176.9 (2)
C1—C2—C7—O1 −0.7 (2) C16—C17—C18—C19 −0.9 (4)
C2—C1—C8—O1 −1.1 (2) C17—C18—C19—C20 1.8 (3)
S1—C1—C8—O1 −172.33 (13) C18—C19—C20—C15 −0.6 (3)
C2—C1—C8—C15 175.59 (19) C16—C15—C20—C19 −1.6 (3)
S1—C1—C8—C15 4.4 (3) C8—C15—C20—C19 176.39 (18)
C7—O1—C8—C1 0.71 (19)