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. 2023 May 26;79(Pt 6):575–577. doi: 10.1107/S2056989023004565
O1—C1 1.2099 (17) C9—H9A 0.9900
O2—C8 1.2131 (17) C9—H9B 0.9900
O3—C13 1.2115 (17) C9—C10 1.5179 (19)
O4—C20 1.2103 (17) C10—H10A 0.9900
N1—C1 1.4001 (18) C10—H10B 0.9900
N1—C8 1.3936 (18) C11—H11A 0.9900
N1—C9 1.4561 (18) C11—H11B 0.9900
N2—H2A 0.930 (17) C11—C12 1.5184 (19)
N2—H2B 0.919 (17) C12—H12A 0.9900
N2—C10 1.4959 (17) C12—H12B 0.9900
N2—C11 1.4950 (17) C13—C14 1.4845 (19)
N3—C12 1.4594 (18) C14—C15 1.375 (2)
N3—C13 1.3988 (18) C14—C19 1.389 (2)
N3—C20 1.3988 (18) C15—H15 0.9500
C1—C2 1.483 (2) C15—C16 1.397 (2)
C2—C3 1.381 (2) C16—H16 0.9500
C2—C7 1.391 (2) C16—C17 1.392 (2)
C3—H3 0.9500 C17—H17 0.9500
C3—C4 1.393 (2) C17—C18 1.389 (2)
C4—H4 0.9500 C18—H18 0.9500
C4—C5 1.389 (2) C18—C19 1.382 (2)
C5—H5 0.9500 C19—C20 1.488 (2)
C5—C6 1.395 (2) O1W—H1WA 0.8699
C6—H6 0.9500 O1W—H1WB 0.8699
C6—C7 1.382 (2) O2W—H2WA 0.8700
C7—C8 1.485 (2) O2W—H2WB 0.8692
C1—N1—C9 123.81 (12) N2—C10—H10A 108.9
C8—N1—C1 111.88 (11) N2—C10—H10B 108.9
C8—N1—C9 124.21 (12) C9—C10—H10A 108.9
H2A—N2—H2B 108.2 (13) C9—C10—H10B 108.9
C10—N2—H2A 110.1 (10) H10A—C10—H10B 107.7
C10—N2—H2B 109.6 (10) N2—C11—H11A 109.0
C11—N2—H2A 111.8 (10) N2—C11—H11B 109.0
C11—N2—H2B 107.7 (10) N2—C11—C12 113.10 (11)
C11—N2—C10 109.44 (11) H11A—C11—H11B 107.8
C13—N3—C12 124.12 (11) C12—C11—H11A 109.0
C13—N3—C20 111.77 (11) C12—C11—H11B 109.0
C20—N3—C12 124.11 (12) N3—C12—C11 113.01 (11)
O1—C1—N1 123.53 (13) N3—C12—H12A 109.0
O1—C1—C2 130.53 (14) N3—C12—H12B 109.0
N1—C1—C2 105.92 (12) C11—C12—H12A 109.0
C3—C2—C1 130.34 (14) C11—C12—H12B 109.0
C3—C2—C7 121.60 (14) H12A—C12—H12B 107.8
C7—C2—C1 108.06 (12) O3—C13—N3 124.40 (13)
C2—C3—H3 121.6 O3—C13—C14 129.59 (13)
C2—C3—C4 116.88 (15) N3—C13—C14 105.99 (11)
C4—C3—H3 121.6 C15—C14—C13 129.93 (13)
C3—C4—H4 119.2 C15—C14—C19 121.88 (13)
C5—C4—C3 121.61 (14) C19—C14—C13 108.19 (12)
C5—C4—H4 119.2 C14—C15—H15 121.4
C4—C5—H5 119.4 C14—C15—C16 117.29 (13)
C4—C5—C6 121.25 (15) C16—C15—H15 121.4
C6—C5—H5 119.4 C15—C16—H16 119.6
C5—C6—H6 121.6 C17—C16—C15 120.89 (14)
C7—C6—C5 116.84 (15) C17—C16—H16 119.6
C7—C6—H6 121.6 C16—C17—H17 119.3
C2—C7—C8 108.21 (12) C18—C17—C16 121.30 (13)
C6—C7—C2 121.82 (14) C18—C17—H17 119.3
C6—C7—C8 129.97 (14) C17—C18—H18 121.3
O2—C8—N1 124.57 (13) C19—C18—C17 117.42 (13)
O2—C8—C7 129.49 (13) C19—C18—H18 121.3
N1—C8—C7 105.93 (12) C14—C19—C20 108.16 (12)
N1—C9—H9A 108.9 C18—C19—C14 121.18 (13)
N1—C9—H9B 108.9 C18—C19—C20 130.65 (13)
N1—C9—C10 113.25 (11) O4—C20—N3 124.62 (13)
H9A—C9—H9B 107.7 O4—C20—C19 129.53 (13)
C10—C9—H9A 108.9 N3—C20—C19 105.85 (11)
C10—C9—H9B 108.9 H1WA—O1W—H1WB 104.5
N2—C10—C9 113.22 (11) H2WA—O2W—H2WB 104.5
O1—C1—C2—C3 −1.7 (3) C9—N1—C1—O1 −1.2 (2)
O1—C1—C2—C7 177.56 (15) C9—N1—C1—C2 177.37 (12)
O3—C13—C14—C15 −2.0 (2) C9—N1—C8—O2 1.8 (2)
O3—C13—C14—C19 177.98 (14) C9—N1—C8—C7 −177.10 (12)
N1—C1—C2—C3 179.83 (14) C10—N2—C11—C12 −179.36 (11)
N1—C1—C2—C7 −0.86 (15) C11—N2—C10—C9 −177.34 (11)
N1—C9—C10—N2 −69.13 (15) C12—N3—C13—O3 2.3 (2)
N2—C11—C12—N3 −70.61 (15) C12—N3—C13—C14 −178.85 (12)
N3—C13—C14—C15 179.24 (14) C12—N3—C20—O4 −1.6 (2)
N3—C13—C14—C19 −0.76 (15) C12—N3—C20—C19 178.60 (12)
C1—N1—C8—O2 178.13 (13) C13—N3—C12—C11 110.75 (14)
C1—N1—C8—C7 −0.76 (15) C13—N3—C20—O4 177.76 (13)
C1—N1—C9—C10 97.89 (15) C13—N3—C20—C19 −1.99 (15)
C1—C2—C3—C4 179.82 (14) C13—C14—C15—C16 −178.35 (13)
C1—C2—C7—C6 −179.45 (13) C13—C14—C19—C18 179.61 (13)
C1—C2—C7—C8 0.42 (15) C13—C14—C19—C20 −0.42 (15)
C2—C3—C4—C5 −0.7 (2) C14—C15—C16—C17 −1.2 (2)
C2—C7—C8—O2 −178.64 (14) C14—C19—C20—O4 −178.29 (14)
C2—C7—C8—N1 0.18 (15) C14—C19—C20—N3 1.45 (15)
C3—C2—C7—C6 −0.1 (2) C15—C14—C19—C18 −0.4 (2)
C3—C2—C7—C8 179.80 (13) C15—C14—C19—C20 179.58 (13)
C3—C4—C5—C6 0.2 (2) C15—C16—C17—C18 −0.6 (2)
C4—C5—C6—C7 0.3 (2) C16—C17—C18—C19 1.8 (2)
C5—C6—C7—C2 −0.4 (2) C17—C18—C19—C14 −1.4 (2)
C5—C6—C7—C8 179.78 (14) C17—C18—C19—C20 178.68 (14)
C6—C7—C8—O2 1.2 (3) C18—C19—C20—O4 1.7 (3)
C6—C7—C8—N1 −179.96 (14) C18—C19—C20—N3 −178.59 (14)
C7—C2—C3—C4 0.6 (2) C19—C14—C15—C16 1.6 (2)
C8—N1—C1—O1 −177.56 (13) C20—N3—C12—C11 −69.92 (16)
C8—N1—C1—C2 1.01 (15) C20—N3—C13—O3 −177.07 (13)
C8—N1—C9—C10 −86.20 (16) C20—N3—C13—C14 1.75 (15)