Skip to main content
. 2020 May 22;76(Pt 6):889–895. doi: 10.1107/S205698902000657X
S1—C8 1.7552 (13) C11—H11B 0.9900
S1—C1 1.7560 (14) C12—C13 1.515 (2)
O1—C7 1.2310 (15) C12—H12A 0.9900
N1—C7 1.3687 (17) C12—H12B 0.9900
N1—C6 1.4207 (17) C13—C14 1.518 (3)
N1—C9 1.4756 (17) C13—H13A 0.9900
C1—C2 1.3928 (19) C13—H13B 0.9900
C1—C6 1.3976 (19) C14—H14A 0.9800
C2—C3 1.380 (2) C14—H14B 0.9800
C2—H2 0.9500 C14—H14C 0.9800
C3—C4 1.379 (2) C15—C16 1.4615 (18)
C3—H3 0.9500 C15—H15 0.9500
C4—C5 1.387 (2) C16—C21 1.3963 (18)
C4—H4 0.9500 C16—C17 1.4004 (18)
C5—C6 1.3958 (19) C17—C18 1.3862 (19)
C5—H5 0.9500 C17—H17 0.9500
C7—C8 1.4922 (18) C18—C19 1.395 (2)
C8—C15 1.3464 (18) C18—H18 0.9500
C9—C10 1.5205 (19) C19—C20 1.387 (2)
C9—H9A 0.9900 C19—C22 1.5067 (19)
C9—H9AB 0.9900 C20—C21 1.3851 (19)
C10—C11 1.5201 (19) C20—H20 0.9500
C10—H10A 0.9900 C21—H21 0.9500
C10—H10B 0.9900 C22—H22A 0.9800
C11—C12 1.520 (2) C22—H22B 0.9800
C11—H11A 0.9900 C22—H22C 0.9800
C8—S1—C1 99.20 (6) C13—C12—C11 115.01 (14)
C7—N1—C6 124.55 (11) C13—C12—H12A 108.5
C7—N1—C9 115.97 (11) C11—C12—H12A 108.5
C6—N1—C9 119.35 (11) C13—C12—H12B 108.5
C2—C1—C6 120.33 (13) C11—C12—H12B 108.5
C2—C1—S1 117.86 (11) H12A—C12—H12B 107.5
C6—C1—S1 121.81 (10) C12—C13—C14 113.96 (15)
C3—C2—C1 120.67 (14) C12—C13—H13A 108.8
C3—C2—H2 119.7 C14—C13—H13A 108.8
C1—C2—H2 119.7 C12—C13—H13B 108.8
C4—C3—C2 119.39 (14) C14—C13—H13B 108.8
C4—C3—H3 120.3 H13A—C13—H13B 107.7
C2—C3—H3 120.3 C13—C14—H14A 109.5
C3—C4—C5 120.51 (13) C13—C14—H14B 109.5
C3—C4—H4 119.7 H14A—C14—H14B 109.5
C5—C4—H4 119.7 C13—C14—H14C 109.5
C4—C5—C6 120.83 (14) H14A—C14—H14C 109.5
C4—C5—H5 119.6 H14B—C14—H14C 109.5
C6—C5—H5 119.6 C8—C15—C16 128.87 (12)
C5—C6—C1 118.17 (12) C8—C15—H15 115.6
C5—C6—N1 120.84 (12) C16—C15—H15 115.6
C1—C6—N1 120.95 (12) C21—C16—C17 117.48 (12)
O1—C7—N1 120.68 (12) C21—C16—C15 118.10 (12)
O1—C7—C8 120.59 (11) C17—C16—C15 124.42 (12)
N1—C7—C8 118.71 (11) C18—C17—C16 120.77 (12)
C15—C8—C7 118.49 (12) C18—C17—H17 119.6
C15—C8—S1 124.93 (10) C16—C17—H17 119.6
C7—C8—S1 116.43 (9) C17—C18—C19 121.36 (13)
N1—C9—C10 113.78 (11) C17—C18—H18 119.3
N1—C9—H9A 108.8 C19—C18—H18 119.3
C10—C9—H9A 108.8 C20—C19—C18 117.81 (13)
N1—C9—H9AB 108.8 C20—C19—C22 120.67 (13)
C10—C9—H9AB 108.8 C18—C19—C22 121.52 (13)
H9A—C9—H9AB 107.7 C21—C20—C19 121.14 (13)
C11—C10—C9 111.74 (11) C21—C20—H20 119.4
C11—C10—H10A 109.3 C19—C20—H20 119.4
C9—C10—H10A 109.3 C20—C21—C16 121.33 (13)
C11—C10—H10B 109.3 C20—C21—H21 119.3
C9—C10—H10B 109.3 C16—C21—H21 119.3
H10A—C10—H10B 107.9 C19—C22—H22A 109.5
C12—C11—C10 113.46 (12) C19—C22—H22B 109.5
C12—C11—H11A 108.9 H22A—C22—H22B 109.5
C10—C11—H11A 108.9 C19—C22—H22C 109.5
C12—C11—H11B 108.9 H22A—C22—H22C 109.5
C10—C11—H11B 108.9 H22B—C22—H22C 109.5
H11A—C11—H11B 107.7
C8—S1—C1—C2 154.11 (11) N1—C7—C8—S1 −35.27 (15)
C8—S1—C1—C6 −25.32 (12) C1—S1—C8—C15 −139.90 (12)
C6—C1—C2—C3 1.0 (2) C1—S1—C8—C7 44.53 (11)
S1—C1—C2—C3 −178.44 (11) C7—N1—C9—C10 79.89 (15)
C1—C2—C3—C4 1.7 (2) C6—N1—C9—C10 −96.17 (14)
C2—C3—C4—C5 −2.0 (2) N1—C9—C10—C11 178.84 (12)
C3—C4—C5—C6 −0.3 (2) C9—C10—C11—C12 172.66 (13)
C4—C5—C6—C1 2.9 (2) C10—C11—C12—C13 −178.97 (14)
C4—C5—C6—N1 −174.94 (13) C11—C12—C13—C14 −64.8 (2)
C2—C1—C6—C5 −3.2 (2) C7—C8—C15—C16 −178.20 (12)
S1—C1—C6—C5 176.17 (10) S1—C8—C15—C16 6.3 (2)
C2—C1—C6—N1 174.59 (12) C8—C15—C16—C21 144.09 (15)
S1—C1—C6—N1 −5.99 (18) C8—C15—C16—C17 −35.5 (2)
C7—N1—C6—C5 −156.27 (13) C21—C16—C17—C18 −2.2 (2)
C9—N1—C6—C5 19.42 (18) C15—C16—C17—C18 177.39 (13)
C7—N1—C6—C1 25.95 (19) C16—C17—C18—C19 −0.6 (2)
C9—N1—C6—C1 −158.36 (12) C17—C18—C19—C20 2.4 (2)
C6—N1—C7—O1 175.34 (12) C17—C18—C19—C22 −177.10 (14)
C9—N1—C7—O1 −0.48 (18) C18—C19—C20—C21 −1.3 (2)
C6—N1—C7—C8 −3.51 (19) C22—C19—C20—C21 178.20 (14)
C9—N1—C7—C8 −179.33 (11) C19—C20—C21—C16 −1.6 (2)
O1—C7—C8—C15 −30.00 (19) C17—C16—C21—C20 3.3 (2)
N1—C7—C8—C15 148.85 (13) C15—C16—C21—C20 −176.31 (13)
O1—C7—C8—S1 145.87 (11)