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. 2022 Aug 9;78(Pt 9):890–896. doi: 10.1107/S2056989022007691
S1—O1 1.428 (2) C16—H16B 0.9600
S1—O2 1.438 (2) C16—H16C 0.9600
S1—C8 1.771 (3) C17—H17A 0.9700
S1—C10 1.755 (3) C17—H17B 0.9700
N1—C1 1.366 (4) C17—C18 1.518 (4)
N1—C9 1.306 (4) C18—H18A 0.9700
N2—C7 1.419 (3) C18—H18B 0.9700
N2—C17 1.469 (3) C18—C19 1.523 (4)
N2—C21 1.476 (3) C19—H19 0.9800
C1—C2 1.407 (4) C19—C20 1.512 (4)
C1—C6 1.412 (4) C19—C22 1.494 (3)
C2—H2 0.9300 C20—H20A 0.9700
C2—C3 1.367 (5) C20—H20B 0.9700
C3—H3 0.9300 C20—C21 1.514 (4)
C3—C4 1.384 (5) C21—H21A 0.9700
C4—H4 0.9300 C21—H21B 0.9700
C4—C5 1.364 (4) C22—O3A 1.191 (5)
C5—H5 0.9300 C22—O4A 1.340 (4)
C5—C6 1.405 (4) C22—O3B 1.194 (5)
C6—C7 1.431 (4) C22—O4B 1.334 (5)
C7—C8 1.381 (4) O4A—C23A 1.464 (5)
C8—C9 1.417 (4) C23A—H23A 0.9700
C9—H9 0.9300 C23A—H23B 0.9700
C10—C11 1.381 (4) C23A—C24A 1.502 (5)
C10—C15 1.383 (4) C24A—H24A 0.9600
C11—H11 0.9300 C24A—H24B 0.9600
C11—C12 1.387 (4) C24A—H24C 0.9600
C12—H12 0.9300 O4B—C23B 1.462 (5)
C12—C13 1.382 (4) C23B—H23C 0.9700
C13—C14 1.383 (4) C23B—H23D 0.9700
C13—C16 1.501 (4) C23B—C24B 1.506 (5)
C14—H14 0.9300 C24B—H24D 0.9600
C14—C15 1.373 (4) C24B—H24E 0.9600
C15—H15 0.9300 C24B—H24F 0.9600
C16—H16A 0.9600
O1—S1—O2 117.38 (14) N2—C17—H17B 109.7
O1—S1—C8 111.76 (13) N2—C17—C18 109.8 (2)
O1—S1—C10 109.63 (13) H17A—C17—H17B 108.2
O2—S1—C8 104.97 (13) C18—C17—H17A 109.7
O2—S1—C10 106.93 (13) C18—C17—H17B 109.7
C10—S1—C8 105.39 (13) C17—C18—H18A 109.4
C9—N1—C1 116.9 (3) C17—C18—H18B 109.4
C7—N2—C17 114.9 (2) C17—C18—C19 111.2 (2)
C7—N2—C21 117.0 (2) H18A—C18—H18B 108.0
C17—N2—C21 113.5 (2) C19—C18—H18A 109.4
N1—C1—C2 116.7 (3) C19—C18—H18B 109.4
N1—C1—C6 123.1 (3) C18—C19—H19 107.7
C2—C1—C6 120.1 (3) C20—C19—C18 109.5 (2)
C1—C2—H2 119.8 C20—C19—H19 107.7
C3—C2—C1 120.4 (3) C22—C19—C18 112.9 (3)
C3—C2—H2 119.8 C22—C19—H19 107.7
C2—C3—H3 120.1 C22—C19—C20 111.1 (2)
C2—C3—C4 119.8 (3) C19—C20—H20A 109.4
C4—C3—H3 120.1 C19—C20—H20B 109.4
C3—C4—H4 119.5 C19—C20—C21 111.3 (2)
C5—C4—C3 120.9 (3) H20A—C20—H20B 108.0
C5—C4—H4 119.5 C21—C20—H20A 109.4
C4—C5—H5 119.3 C21—C20—H20B 109.4
C4—C5—C6 121.4 (3) N2—C21—C20 109.8 (2)
C6—C5—H5 119.3 N2—C21—H21A 109.7
C1—C6—C7 118.5 (3) N2—C21—H21B 109.7
C5—C6—C1 117.3 (3) C20—C21—H21A 109.7
C5—C6—C7 124.2 (3) C20—C21—H21B 109.7
N2—C7—C6 124.0 (2) H21A—C21—H21B 108.2
C8—C7—N2 119.2 (2) O3A—C22—C19 124.7 (8)
C8—C7—C6 116.8 (2) O3A—C22—O4A 123.3 (9)
C7—C8—S1 123.0 (2) O4A—C22—C19 111.9 (4)
C7—C8—C9 119.7 (3) O3B—C22—C19 129.6 (13)
C9—C8—S1 117.3 (2) O3B—C22—O4B 116.4 (14)
N1—C9—C8 124.6 (3) O4B—C22—C19 113.9 (5)
N1—C9—H9 117.7 C22—O4A—C23A 123.1 (7)
C8—C9—H9 117.7 O4A—C23A—H23A 110.5
C11—C10—S1 120.9 (2) O4A—C23A—H23B 110.5
C11—C10—C15 120.0 (3) O4A—C23A—C24A 106.0 (8)
C15—C10—S1 118.9 (2) H23A—C23A—H23B 108.7
C10—C11—H11 120.3 C24A—C23A—H23A 110.5
C10—C11—C12 119.5 (3) C24A—C23A—H23B 110.5
C12—C11—H11 120.3 C23A—C24A—H24A 109.5
C11—C12—H12 119.4 C23A—C24A—H24B 109.5
C13—C12—C11 121.3 (3) C23A—C24A—H24C 109.5
C13—C12—H12 119.4 H24A—C24A—H24B 109.5
C12—C13—C14 118.0 (3) H24A—C24A—H24C 109.5
C12—C13—C16 120.7 (3) H24B—C24A—H24C 109.5
C14—C13—C16 121.4 (3) C22—O4B—C23B 107.5 (9)
C13—C14—H14 119.1 O4B—C23B—H23C 111.1
C15—C14—C13 121.8 (3) O4B—C23B—H23D 111.1
C15—C14—H14 119.1 O4B—C23B—C24B 103.2 (8)
C10—C15—H15 120.3 H23C—C23B—H23D 109.1
C14—C15—C10 119.4 (3) C24B—C23B—H23C 111.1
C14—C15—H15 120.3 C24B—C23B—H23D 111.1
C13—C16—H16A 109.5 C23B—C24B—H24D 109.5
C13—C16—H16B 109.5 C23B—C24B—H24E 109.5
C13—C16—H16C 109.5 C23B—C24B—H24F 109.5
H16A—C16—H16B 109.5 H24D—C24B—H24E 109.5
H16A—C16—H16C 109.5 H24D—C24B—H24F 109.5
H16B—C16—H16C 109.5 H24E—C24B—H24F 109.5
N2—C17—H17A 109.7
S1—C8—C9—N1 −175.8 (2) C9—N1—C1—C2 −179.0 (3)
S1—C10—C11—C12 175.7 (2) C9—N1—C1—C6 0.5 (4)
S1—C10—C15—C14 −176.9 (3) C10—S1—C8—C7 −71.5 (3)
O1—S1—C8—C7 47.6 (3) C10—S1—C8—C9 106.4 (2)
O1—S1—C8—C9 −134.6 (2) C10—C11—C12—C13 0.5 (5)
O1—S1—C10—C11 4.5 (3) C11—C10—C15—C14 −1.9 (5)
O1—S1—C10—C15 179.5 (2) C11—C12—C13—C14 −0.6 (5)
O2—S1—C8—C7 175.8 (2) C11—C12—C13—C16 179.5 (3)
O2—S1—C8—C9 −6.4 (3) C12—C13—C14—C15 −0.5 (5)
O2—S1—C10—C11 −123.7 (2) C13—C14—C15—C10 1.7 (5)
O2—S1—C10—C15 51.3 (3) C15—C10—C11—C12 0.8 (4)
N1—C1—C2—C3 176.8 (3) C16—C13—C14—C15 179.4 (3)
N1—C1—C6—C5 −175.5 (3) C17—N2—C7—C6 83.1 (3)
N1—C1—C6—C7 4.2 (4) C17—N2—C7—C8 −98.2 (3)
N2—C7—C8—S1 1.7 (4) C17—N2—C21—C20 57.5 (3)
N2—C7—C8—C9 −176.1 (2) C17—C18—C19—C20 −55.7 (3)
N2—C17—C18—C19 55.9 (3) C17—C18—C19—C22 179.8 (2)
C1—N1—C9—C8 −3.7 (5) C18—C19—C20—C21 55.9 (3)
C1—C2—C3—C4 −1.0 (5) C18—C19—C22—O3A 117.3 (10)
C1—C6—C7—N2 173.2 (2) C18—C19—C22—O4A −61.1 (6)
C1—C6—C7—C8 −5.5 (4) C18—C19—C22—O3B 143.1 (14)
C2—C1—C6—C5 3.9 (4) C18—C19—C22—O4B −32.5 (9)
C2—C1—C6—C7 −176.4 (3) C19—C20—C21—N2 −56.2 (4)
C2—C3—C4—C5 3.3 (5) C19—C22—O4A—C23A −178.2 (7)
C3—C4—C5—C6 −1.9 (5) C19—C22—O4B—C23B −177.9 (9)
C4—C5—C6—C1 −1.7 (5) C20—C19—C22—O3A −6.2 (11)
C4—C5—C6—C7 178.7 (3) C20—C19—C22—O4A 175.4 (5)
C5—C6—C7—N2 −7.1 (4) C20—C19—C22—O3B 19.6 (15)
C5—C6—C7—C8 174.1 (3) C20—C19—C22—O4B −156.0 (9)
C6—C1—C2—C3 −2.6 (5) C21—N2—C7—C6 −53.7 (4)
C6—C7—C8—S1 −179.56 (19) C21—N2—C7—C8 124.9 (3)
C6—C7—C8—C9 2.7 (4) C21—N2—C17—C18 −57.4 (3)
C7—N2—C17—C18 164.2 (2) C22—C19—C20—C21 −178.7 (3)
C7—N2—C21—C20 −165.0 (2) C22—O4A—C23A—C24A −98.1 (14)
C7—C8—C9—N1 2.1 (5) C22—O4B—C23B—C24B 150 (2)
C8—S1—C10—C11 124.9 (2) O3A—C22—O4A—C23A 3.4 (14)
C8—S1—C10—C15 −60.1 (3) O3B—C22—O4B—C23B 5.9 (17)