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. 2012 Jul 7;68(Pt 8):o2367–o2368. doi: 10.1107/S160053681203005X
O1—C2 1.3724 (8) C9—C14 1.3595 (9)
O1—C1 1.4240 (9) C9—C10 1.4590 (9)
O2—C19 1.2121 (10) C10—C11 1.5102 (10)
O3—C10 1.2366 (8) C11—C12 1.5220 (10)
O4—C15 1.3914 (8) C11—H11A 0.9900
O4—H1O4 0.887 (17) C11—H11B 0.9900
O5—C14 1.3561 (8) C12—C13 1.5225 (10)
O5—C15 1.4552 (8) C12—H12A 0.9900
C1—H1A 0.9800 C12—H12B 0.9900
C1—H1B 0.9800 C13—C14 1.4940 (10)
C1—H1C 0.9800 C13—H13A 0.9900
C2—C7 1.3919 (10) C13—H13B 0.9900
C2—C3 1.3963 (9) C15—C16 1.5201 (10)
C3—C4 1.3876 (9) C15—C20 1.5241 (9)
C3—H3A 0.9500 C16—C17 1.5306 (11)
C4—C5 1.3986 (9) C16—H16A 0.9900
C4—H4A 0.9500 C16—H16B 0.9900
C5—C6 1.3872 (9) C17—C18 1.5395 (11)
C5—C8 1.5223 (9) C17—H17A 0.9900
C6—C7 1.3961 (9) C17—H17B 0.9900
C6—H6A 0.9500 C18—C19 1.5124 (11)
C7—H7A 0.9500 C18—H18A 0.9900
C8—C9 1.5120 (9) C18—H18B 0.9900
C8—C20 1.5383 (9) C19—C20 1.5250 (10)
C8—H8A 1.0000 C20—H20A 1.0000
C2—O1—C1 116.20 (6) C13—C12—H12A 109.7
C15—O4—H1O4 108.5 (11) C11—C12—H12B 109.7
C14—O5—C15 115.53 (5) C13—C12—H12B 109.7
O1—C1—H1A 109.5 H12A—C12—H12B 108.2
O1—C1—H1B 109.5 C14—C13—C12 111.78 (6)
H1A—C1—H1B 109.5 C14—C13—H13A 109.3
O1—C1—H1C 109.5 C12—C13—H13A 109.3
H1A—C1—H1C 109.5 C14—C13—H13B 109.3
H1B—C1—H1C 109.5 C12—C13—H13B 109.3
O1—C2—C7 124.19 (6) H13A—C13—H13B 107.9
O1—C2—C3 115.68 (6) O5—C14—C9 123.23 (6)
C7—C2—C3 120.13 (6) O5—C14—C13 112.08 (6)
C4—C3—C2 119.60 (6) C9—C14—C13 124.67 (6)
C4—C3—H3A 120.2 O4—C15—O5 109.43 (5)
C2—C3—H3A 120.2 O4—C15—C16 112.80 (6)
C3—C4—C5 121.28 (6) O5—C15—C16 106.51 (5)
C3—C4—H4A 119.4 O4—C15—C20 106.96 (5)
C5—C4—H4A 119.4 O5—C15—C20 108.57 (5)
C6—C5—C4 118.13 (6) C16—C15—C20 112.50 (6)
C6—C5—C8 121.31 (6) C15—C16—C17 110.21 (6)
C4—C5—C8 120.53 (6) C15—C16—H16A 109.6
C5—C6—C7 121.69 (6) C17—C16—H16A 109.6
C5—C6—H6A 119.2 C15—C16—H16B 109.6
C7—C6—H6A 119.2 C17—C16—H16B 109.6
C2—C7—C6 119.17 (6) H16A—C16—H16B 108.1
C2—C7—H7A 120.4 C16—C17—C18 111.97 (6)
C6—C7—H7A 120.4 C16—C17—H17A 109.2
C9—C8—C5 111.58 (5) C18—C17—H17A 109.2
C9—C8—C20 110.23 (5) C16—C17—H17B 109.2
C5—C8—C20 108.97 (5) C18—C17—H17B 109.2
C9—C8—H8A 108.7 H17A—C17—H17B 107.9
C5—C8—H8A 108.7 C19—C18—C17 111.03 (6)
C20—C8—H8A 108.7 C19—C18—H18A 109.4
C14—C9—C10 118.45 (6) C17—C18—H18A 109.4
C14—C9—C8 122.42 (6) C19—C18—H18B 109.4
C10—C9—C8 118.81 (6) C17—C18—H18B 109.4
O3—C10—C9 121.41 (6) H18A—C18—H18B 108.0
O3—C10—C11 119.98 (6) O2—C19—C18 123.23 (7)
C9—C10—C11 118.47 (6) O2—C19—C20 122.49 (7)
C10—C11—C12 112.31 (6) C18—C19—C20 114.28 (6)
C10—C11—H11A 109.1 C15—C20—C19 109.02 (5)
C12—C11—H11A 109.1 C15—C20—C8 111.99 (5)
C10—C11—H11B 109.1 C19—C20—C8 113.16 (6)
C12—C11—H11B 109.1 C15—C20—H20A 107.5
H11A—C11—H11B 107.9 C19—C20—H20A 107.5
C11—C12—C13 109.76 (6) C8—C20—H20A 107.5
C11—C12—H12A 109.7
C1—O1—C2—C7 −5.83 (10) C10—C9—C14—O5 −165.29 (6)
C1—O1—C2—C3 173.89 (6) C8—C9—C14—O5 8.13 (10)
O1—C2—C3—C4 179.92 (6) C10—C9—C14—C13 13.68 (10)
C7—C2—C3—C4 −0.35 (11) C8—C9—C14—C13 −172.89 (6)
C2—C3—C4—C5 −0.24 (11) C12—C13—C14—O5 −166.48 (6)
C3—C4—C5—C6 0.28 (10) C12—C13—C14—C9 14.45 (10)
C3—C4—C5—C8 −177.51 (6) C14—O5—C15—O4 64.53 (7)
C4—C5—C6—C7 0.28 (10) C14—O5—C15—C16 −173.25 (6)
C8—C5—C6—C7 178.05 (6) C14—O5—C15—C20 −51.88 (7)
O1—C2—C7—C6 −179.41 (6) O4—C15—C16—C17 −63.35 (7)
C3—C2—C7—C6 0.89 (10) O5—C15—C16—C17 176.59 (5)
C5—C6—C7—C2 −0.86 (10) C20—C15—C16—C17 57.76 (8)
C6—C5—C8—C9 128.25 (7) C15—C16—C17—C18 −54.64 (8)
C4—C5—C8—C9 −54.04 (8) C16—C17—C18—C19 51.97 (9)
C6—C5—C8—C20 −109.80 (7) C17—C18—C19—O2 127.53 (8)
C4—C5—C8—C20 67.91 (8) C17—C18—C19—C20 −52.57 (9)
C5—C8—C9—C14 122.43 (7) O4—C15—C20—C19 67.95 (7)
C20—C8—C9—C14 1.21 (9) O5—C15—C20—C19 −174.06 (5)
C5—C8—C9—C10 −64.17 (8) C16—C15—C20—C19 −56.44 (7)
C20—C8—C9—C10 174.62 (6) O4—C15—C20—C8 −58.05 (7)
C14—C9—C10—O3 169.77 (7) O5—C15—C20—C8 59.94 (7)
C8—C9—C10—O3 −3.90 (10) C16—C15—C20—C8 177.56 (6)
C14—C9—C10—C11 −6.00 (9) O2—C19—C20—C15 −125.90 (8)
C8—C9—C10—C11 −179.66 (6) C18—C19—C20—C15 54.19 (8)
O3—C10—C11—C12 155.40 (7) O2—C19—C20—C8 −0.58 (10)
C9—C10—C11—C12 −28.78 (9) C18—C19—C20—C8 179.51 (6)
C10—C11—C12—C13 55.12 (8) C9—C8—C20—C15 −34.60 (7)
C11—C12—C13—C14 −47.83 (8) C5—C8—C20—C15 −157.37 (5)
C15—O5—C14—C9 18.89 (9) C9—C8—C20—C19 −158.31 (6)
C15—O5—C14—C13 −160.19 (6) C5—C8—C20—C19 78.92 (7)