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. 2013 Jan 16;69(Pt 2):o242. doi: 10.1107/S1600536813000913
O1—C7 1.2198 (14) C11—C12 1.3891 (17)
O2—C6 1.3711 (14) C12—H12 0.9500
O2—C20 1.4401 (16) C14—C19 1.372 (2)
O3—C11 1.3760 (14) C14—C15 1.376 (2)
O3—C14 1.3947 (15) C15—C16 1.381 (2)
C3—C4 1.4101 (14) C15—H15 0.9500
C3—C4i 1.4102 (14) C20—C22 1.494 (2)
C3—C2 1.428 (2) C20—C21 1.509 (2)
C8—C9 1.3916 (16) C20—H20 1.0000
C8—C13 1.3966 (17) C16—C17 1.370 (2)
C8—C7 1.4841 (16) C16—H16 0.9500
C7—C1 1.5116 (16) C19—C18 1.390 (2)
C2—C1i 1.4295 (13) C19—H19 0.9500
C2—C1 1.4295 (13) C17—C18 1.375 (2)
C5—C4 1.3586 (17) C17—H17 0.9500
C5—C6 1.4094 (17) C18—H18 0.9500
C5—H5 0.9500 C21—H21A 0.9800
C1—C6 1.3800 (17) C21—H21B 0.9800
C9—C10 1.3829 (17) C21—H21C 0.9800
C9—H9 0.9500 C22—H22B 0.9800
C13—C12 1.3788 (18) C22—H22C 0.9800
C13—H13 0.9500 C22—H22A 0.9800
C10—C11 1.3881 (17) C4—H4 0.9500
C10—H10 0.9500
C6—O2—C20 119.65 (10) C19—C14—O3 119.69 (13)
C11—O3—C14 118.75 (10) C15—C14—O3 119.09 (13)
C4—C3—C4i 120.42 (15) C14—C15—C16 119.40 (14)
C4—C3—C2 119.79 (7) C14—C15—H15 120.3
C4i—C3—C2 119.79 (7) C16—C15—H15 120.3
C9—C8—C13 118.63 (11) O2—C20—C22 111.41 (14)
C9—C8—C7 118.90 (10) O2—C20—C21 104.39 (12)
C13—C8—C7 122.45 (10) C22—C20—C21 113.15 (15)
O1—C7—C8 121.21 (10) O2—C20—H20 109.3
O1—C7—C1 118.46 (10) C22—C20—H20 109.3
C8—C7—C1 120.33 (10) C21—C20—H20 109.3
C3—C2—C1i 117.67 (7) C17—C16—C15 120.36 (15)
C3—C2—C1 117.67 (7) C17—C16—H16 119.8
C1i—C2—C1 124.67 (14) C15—C16—H16 119.8
C4—C5—C6 119.00 (11) C14—C19—C18 118.71 (14)
C4—C5—H5 120.5 C14—C19—H19 120.6
C6—C5—H5 120.5 C18—C19—H19 120.6
C6—C1—C2 120.06 (11) C16—C17—C18 119.81 (14)
C6—C1—C7 116.97 (10) C16—C17—H17 120.1
C2—C1—C7 122.40 (11) C18—C17—H17 120.1
O2—C6—C1 115.93 (10) C17—C18—C19 120.58 (15)
O2—C6—C5 122.41 (11) C17—C18—H18 119.7
C1—C6—C5 121.65 (11) C19—C18—H18 119.7
C10—C9—C8 120.99 (11) C20—C21—H21A 109.5
C10—C9—H9 119.5 C20—C21—H21B 109.5
C8—C9—H9 119.5 H21A—C21—H21B 109.5
C12—C13—C8 121.08 (11) C20—C21—H21C 109.5
C12—C13—H13 119.5 H21A—C21—H21C 109.5
C8—C13—H13 119.5 H21B—C21—H21C 109.5
C9—C10—C11 119.28 (11) C20—C22—H22B 109.5
C9—C10—H10 120.4 C20—C22—H22C 109.5
C11—C10—H10 120.4 H22B—C22—H22C 109.5
O3—C11—C10 123.51 (11) C20—C22—H22A 109.5
O3—C11—C12 115.70 (11) H22B—C22—H22A 109.5
C10—C11—C12 120.79 (11) H22C—C22—H22A 109.5
C13—C12—C11 119.24 (11) C5—C4—C3 121.77 (11)
C13—C12—H12 120.4 C5—C4—H4 119.1
C11—C12—H12 120.4 C3—C4—H4 119.1
C19—C14—C15 121.12 (13)
C9—C8—C7—O1 −5.73 (18) C9—C8—C13—C12 −0.21 (19)
C13—C8—C7—O1 172.58 (12) C7—C8—C13—C12 −178.51 (12)
C9—C8—C7—C1 173.94 (11) C8—C9—C10—C11 −0.71 (19)
C13—C8—C7—C1 −7.76 (17) C14—O3—C11—C10 0.68 (19)
C4—C3—C2—C1i −177.89 (7) C14—O3—C11—C12 −178.86 (12)
C4i—C3—C2—C1i 2.11 (7) C9—C10—C11—O3 −179.14 (12)
C4—C3—C2—C1 2.11 (7) C9—C10—C11—C12 0.38 (19)
C4i—C3—C2—C1 −177.89 (7) C8—C13—C12—C11 −0.1 (2)
C3—C2—C1—C6 −1.15 (12) O3—C11—C12—C13 179.58 (12)
C1i—C2—C1—C6 178.85 (12) C10—C11—C12—C13 0.0 (2)
C3—C2—C1—C7 169.94 (8) C11—O3—C14—C19 −84.84 (16)
C1i—C2—C1—C7 −10.06 (8) C11—O3—C14—C15 98.74 (15)
O1—C7—C1—C6 110.54 (13) C19—C14—C15—C16 −0.4 (2)
C8—C7—C1—C6 −69.13 (14) O3—C14—C15—C16 175.98 (12)
O1—C7—C1—C2 −60.81 (15) C6—O2—C20—C22 60.29 (17)
C8—C7—C1—C2 119.52 (11) C6—O2—C20—C21 −177.26 (13)
C20—O2—C6—C1 −150.33 (12) C14—C15—C16—C17 0.8 (2)
C20—O2—C6—C5 29.72 (18) C15—C14—C19—C18 −0.5 (2)
C2—C1—C6—O2 178.90 (9) O3—C14—C19—C18 −176.89 (13)
C7—C1—C6—O2 7.34 (16) C15—C16—C17—C18 −0.3 (2)
C2—C1—C6—C5 −1.14 (17) C16—C17—C18—C19 −0.7 (2)
C7—C1—C6—C5 −172.70 (11) C14—C19—C18—C17 1.1 (2)
C4—C5—C6—O2 −177.55 (11) C6—C5—C4—C3 −1.49 (18)
C4—C5—C6—C1 2.49 (19) C4i—C3—C4—C5 179.19 (13)
C13—C8—C9—C10 0.62 (18) C2—C3—C4—C5 −0.81 (13)
C7—C8—C9—C10 178.99 (11)