Skip to main content
. 2012 Mar 3;68(Pt 4):o947. doi: 10.1107/S1600536812008409
S1—O2 1.4834 (12) C11—H11B 0.9900
S1—C1 1.7582 (16) C12—C13 1.501 (3)
S1—C16 1.7940 (18) C12—H12A 0.9900
O1—C8 1.373 (2) C12—H12B 0.9900
O1—C7 1.3792 (19) C13—C14 1.525 (2)
C1—C8 1.355 (2) C13—H13A 0.9900
C1—C2 1.447 (2) C13—H13B 0.9900
C2—C7 1.391 (2) C14—H14A 0.9900
C2—C3 1.397 (2) C14—H14B 0.9900
C3—C4 1.394 (2) C15—H15A 0.9800
C3—H3 0.9500 C15—H15B 0.9800
C4—C5 1.403 (2) C15—H15C 0.9800
C4—C9 1.515 (2) C16—C21 1.384 (2)
C5—C6 1.386 (2) C16—C17 1.389 (2)
C5—H5 0.9500 C17—C18 1.378 (3)
C6—C7 1.378 (2) C17—H17 0.9500
C6—H6 0.9500 C18—C19 1.393 (3)
C8—C15 1.482 (2) C18—H18 0.9500
C9—C10 1.521 (2) C19—C20 1.391 (3)
C9—C14 1.526 (2) C19—C22 1.510 (3)
C9—H9 1.0000 C20—C21 1.383 (3)
C10—C11 1.528 (2) C20—H20 0.9500
C10—H10A 0.9900 C21—H21 0.9500
C10—H10B 0.9900 C22—H22A 0.9800
C11—C12 1.516 (3) C22—H22B 0.9800
C11—H11A 0.9900 C22—H22C 0.9800
O2—S1—C1 107.26 (7) C13—C12—H12A 109.4
O2—S1—C16 107.48 (8) C11—C12—H12A 109.4
C1—S1—C16 97.46 (7) C13—C12—H12B 109.4
C8—O1—C7 106.50 (12) C11—C12—H12B 109.4
C8—C1—C2 107.63 (14) H12A—C12—H12B 108.0
C8—C1—S1 123.82 (12) C12—C13—C14 111.56 (15)
C2—C1—S1 128.54 (11) C12—C13—H13A 109.3
C7—C2—C3 119.37 (14) C14—C13—H13A 109.3
C7—C2—C1 104.43 (13) C12—C13—H13B 109.3
C3—C2—C1 136.19 (15) C14—C13—H13B 109.3
C4—C3—C2 118.92 (14) H13A—C13—H13B 108.0
C4—C3—H3 120.5 C13—C14—C9 112.06 (15)
C2—C3—H3 120.5 C13—C14—H14A 109.2
C3—C4—C5 119.37 (15) C9—C14—H14A 109.2
C3—C4—C9 121.06 (14) C13—C14—H14B 109.2
C5—C4—C9 119.57 (14) C9—C14—H14B 109.2
C6—C5—C4 122.67 (16) H14A—C14—H14B 107.9
C6—C5—H5 118.7 C8—C15—H15A 109.5
C4—C5—H5 118.7 C8—C15—H15B 109.5
C7—C6—C5 116.24 (15) H15A—C15—H15B 109.5
C7—C6—H6 121.9 C8—C15—H15C 109.5
C5—C6—H6 121.9 H15A—C15—H15C 109.5
C6—C7—O1 125.79 (14) H15B—C15—H15C 109.5
C6—C7—C2 123.42 (15) C21—C16—C17 120.55 (16)
O1—C7—C2 110.78 (14) C21—C16—S1 121.67 (12)
C1—C8—O1 110.65 (13) C17—C16—S1 117.76 (13)
C1—C8—C15 133.23 (17) C18—C17—C16 119.32 (16)
O1—C8—C15 116.11 (14) C18—C17—H17 120.3
C4—C9—C10 112.70 (13) C16—C17—H17 120.3
C4—C9—C14 112.02 (13) C17—C18—C19 121.36 (16)
C10—C9—C14 109.74 (15) C17—C18—H18 119.3
C4—C9—H9 107.4 C19—C18—H18 119.3
C10—C9—H9 107.4 C20—C19—C18 118.16 (18)
C14—C9—H9 107.4 C20—C19—C22 120.8 (2)
C9—C10—C11 111.72 (15) C18—C19—C22 121.02 (18)
C9—C10—H10A 109.3 C21—C20—C19 121.29 (17)
C11—C10—H10A 109.3 C21—C20—H20 119.4
C9—C10—H10B 109.3 C19—C20—H20 119.4
C11—C10—H10B 109.3 C20—C21—C16 119.31 (15)
H10A—C10—H10B 107.9 C20—C21—H21 120.3
C12—C11—C10 111.32 (17) C16—C21—H21 120.3
C12—C11—H11A 109.4 C19—C22—H22A 109.5
C10—C11—H11A 109.4 C19—C22—H22B 109.5
C12—C11—H11B 109.4 H22A—C22—H22B 109.5
C10—C11—H11B 109.4 C19—C22—H22C 109.5
H11A—C11—H11B 108.0 H22A—C22—H22C 109.5
C13—C12—C11 111.39 (17) H22B—C22—H22C 109.5
O2—S1—C1—C8 −146.67 (14) C7—O1—C8—C15 −179.73 (13)
C16—S1—C1—C8 102.36 (14) C3—C4—C9—C10 60.1 (2)
O2—S1—C1—C2 33.43 (16) C5—C4—C9—C10 −120.06 (18)
C16—S1—C1—C2 −77.54 (14) C3—C4—C9—C14 −64.24 (19)
C8—C1—C2—C7 −0.07 (16) C5—C4—C9—C14 115.60 (17)
S1—C1—C2—C7 179.84 (12) C4—C9—C10—C11 179.09 (17)
C8—C1—C2—C3 179.21 (16) C14—C9—C10—C11 −55.3 (2)
S1—C1—C2—C3 −0.9 (3) C9—C10—C11—C12 55.9 (3)
C7—C2—C3—C4 −0.4 (2) C10—C11—C12—C13 −55.0 (2)
C1—C2—C3—C4 −179.61 (16) C11—C12—C13—C14 54.7 (2)
C2—C3—C4—C5 −0.2 (2) C12—C13—C14—C9 −55.4 (2)
C2—C3—C4—C9 179.61 (13) C4—C9—C14—C13 −178.94 (15)
C3—C4—C5—C6 0.4 (2) C10—C9—C14—C13 55.1 (2)
C9—C4—C5—C6 −179.46 (15) O2—S1—C16—C21 −21.67 (17)
C4—C5—C6—C7 0.1 (3) C1—S1—C16—C21 89.13 (15)
C5—C6—C7—O1 −179.92 (14) O2—S1—C16—C17 156.54 (13)
C5—C6—C7—C2 −0.8 (2) C1—S1—C16—C17 −92.67 (14)
C8—O1—C7—C6 179.88 (15) C21—C16—C17—C18 −1.0 (3)
C8—O1—C7—C2 0.67 (16) S1—C16—C17—C18 −179.22 (13)
C3—C2—C7—C6 1.0 (2) C16—C17—C18—C19 1.2 (3)
C1—C2—C7—C6 −179.60 (15) C17—C18—C19—C20 −0.8 (3)
C3—C2—C7—O1 −179.80 (12) C17—C18—C19—C22 178.7 (2)
C1—C2—C7—O1 −0.37 (16) C18—C19—C20—C21 0.2 (3)
C2—C1—C8—O1 0.49 (17) C22—C19—C20—C21 −179.3 (2)
S1—C1—C8—O1 −179.43 (10) C19—C20—C21—C16 0.0 (3)
C2—C1—C8—C15 179.27 (16) C17—C16—C21—C20 0.4 (3)
S1—C1—C8—C15 −0.6 (3) S1—C16—C21—C20 178.54 (14)
C7—O1—C8—C1 −0.72 (16)