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. 2014 Apr 30;70(Pt 5):o622–o623. doi: 10.1107/S1600536814008204
S1—C9 1.765 (3) C12—C13 1.374 (4)
S1—C8 1.740 (3) C12—C11 1.361 (5)
N3—N2 1.362 (3) C12—O1 1.372 (4)
N3—C7 1.334 (3) C14—H14 0.9300
N3—H3 0.91 (3) C14—C13 1.372 (4)
N2—C8 1.320 (3) C13—H13 0.9300
N1—C7 1.324 (3) C10—H10 0.9300
N1—C8 1.344 (3) C10—C11 1.366 (5)
C7—C6 1.453 (3) C15—C16 1.3900
C6—C1 1.3900 C15—C20 1.3900
C6—C5 1.3900 C15—O1 1.359 (3)
C1—H1 0.9300 C16—H16 0.9300
C1—C2 1.3900 C16—C17 1.3900
C2—H2 0.9300 C17—H17 0.9300
C2—C3 1.3900 C17—C18 1.3900
C3—H3A 0.9300 C18—H18 0.9300
C3—C4 1.3900 C18—C19 1.3900
C4—H4 0.9300 C19—H19 0.9300
C4—C5 1.3900 C19—C20 1.3900
C5—H5 0.9300 C20—H20 0.9300
C9—C14 1.380 (4) C11—H11 0.9300
C9—C10 1.372 (4)
C8—S1—C9 103.95 (12) N2—C8—N1 115.2 (2)
N2—N3—H3 119.3 (18) N1—C8—S1 119.43 (18)
C7—N3—N2 110.2 (2) C9—C14—H14 119.7
C7—N3—H3 129.7 (18) C13—C14—C9 120.5 (3)
C8—N2—N3 101.72 (19) C13—C14—H14 119.7
C7—N1—C8 103.21 (19) C12—C13—H13 120.4
N3—C7—C6 125.0 (2) C14—C13—C12 119.3 (3)
N1—C7—N3 109.6 (2) C14—C13—H13 120.4
N1—C7—C6 125.33 (19) C9—C10—H10 120.0
C1—C6—C7 122.03 (14) C11—C10—C9 120.0 (3)
C1—C6—C5 120.0 C11—C10—H10 120.0
C5—C6—C7 117.92 (14) C16—C15—C20 120.0
C6—C1—H1 120.0 O1—C15—C16 119.5 (2)
C2—C1—C6 120.0 O1—C15—C20 120.4 (2)
C2—C1—H1 120.0 C15—C16—H16 120.0
C1—C2—H2 120.0 C15—C16—C17 120.0
C3—C2—C1 120.0 C17—C16—H16 120.0
C3—C2—H2 120.0 C16—C17—H17 120.0
C2—C3—H3A 120.0 C18—C17—C16 120.0
C2—C3—C4 120.0 C18—C17—H17 120.0
C4—C3—H3A 120.0 C17—C18—H18 120.0
C3—C4—H4 120.0 C19—C18—C17 120.0
C3—C4—C5 120.0 C19—C18—H18 120.0
C5—C4—H4 120.0 C18—C19—H19 120.0
C6—C5—H5 120.0 C18—C19—C20 120.0
C4—C5—C6 120.0 C20—C19—H19 120.0
C4—C5—H5 120.0 C15—C20—H20 120.0
C14—C9—S1 122.1 (2) C19—C20—C15 120.0
C10—C9—S1 118.3 (2) C19—C20—H20 120.0
C10—C9—C14 119.3 (3) C12—C11—C10 120.6 (3)
C11—C12—C13 120.2 (3) C12—C11—H11 119.7
C11—C12—O1 116.5 (3) C10—C11—H11 119.7
O1—C12—C13 123.2 (3) C15—O1—C12 119.5 (2)
N2—C8—S1 125.17 (19)
S1—C9—C14—C13 −175.8 (2) C9—C10—C11—C12 2.4 (5)
S1—C9—C10—C11 174.0 (3) C8—S1—C9—C14 −57.9 (3)
N3—N2—C8—S1 −175.31 (18) C8—S1—C9—C10 128.3 (2)
N3—N2—C8—N1 −0.1 (3) C8—N1—C7—N3 0.4 (3)
N3—C7—C6—C1 12.0 (3) C8—N1—C7—C6 −179.7 (2)
N3—C7—C6—C5 −170.67 (19) C14—C9—C10—C11 0.0 (5)
N2—N3—C7—N1 −0.5 (3) C13—C12—C11—C10 −2.8 (6)
N2—N3—C7—C6 179.66 (19) C13—C12—O1—C15 24.8 (5)
N1—C7—C6—C1 −167.84 (18) C10—C9—C14—C13 −2.0 (4)
N1—C7—C6—C5 9.5 (3) C15—C16—C17—C18 0.0
C7—N3—N2—C8 0.4 (2) C16—C15—C20—C19 0.0
C7—N1—C8—S1 175.31 (17) C16—C15—O1—C12 −122.6 (3)
C7—N1—C8—N2 −0.2 (3) C16—C17—C18—C19 0.0
C7—C6—C1—C2 177.32 (18) C17—C18—C19—C20 0.0
C7—C6—C5—C4 −177.43 (17) C18—C19—C20—C15 0.0
C6—C1—C2—C3 0.0 C20—C15—C16—C17 0.0
C1—C6—C5—C4 0.0 C20—C15—O1—C12 60.7 (4)
C1—C2—C3—C4 0.0 C11—C12—C13—C14 0.8 (5)
C2—C3—C4—C5 0.0 C11—C12—O1—C15 −158.7 (3)
C3—C4—C5—C6 0.0 O1—C12—C13—C14 177.2 (3)
C5—C6—C1—C2 0.0 O1—C12—C11—C10 −179.5 (3)
C9—S1—C8—N2 −34.3 (2) O1—C15—C16—C17 −176.7 (2)
C9—S1—C8—N1 150.7 (2) O1—C15—C20—C19 176.7 (2)
C9—C14—C13—C12 1.6 (5)