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. 2018 Nov 9;74(Pt 12):1746–1750. doi: 10.1107/S2056989018015219
O1—C7 1.2194 (11) C8—C10 1.4936 (13)
O2—C18 1.2241 (11) C9—H9A 0.967 (13)
N1—C7 1.3938 (11) C9—H9B 0.982 (14)
N1—C6 1.3943 (11) C10—H10A 0.986 (14)
N1—C11 1.4428 (11) C10—H10B 0.998 (14)
N2—C7 1.3853 (12) C10—H10C 1.001 (14)
N2—C1 1.3969 (11) C11—H11A 0.978 (12)
N2—C8 1.4386 (11) C11—H11B 0.982 (12)
N3—C18 1.3899 (11) C12—C13 1.3843 (12)
N3—C12 1.3980 (11) C12—C17 1.4003 (12)
N3—C11 1.4478 (11) C13—C14 1.4010 (13)
N4—C18 1.3850 (11) C13—H13 0.961 (13)
N4—C17 1.3991 (11) C14—C15 1.3970 (14)
N4—C19 1.4343 (11) C14—H14 0.991 (14)
C1—C2 1.3858 (12) C15—C16 1.3956 (13)
C1—C6 1.4026 (12) C15—H15 0.960 (14)
C2—C3 1.3976 (13) C16—C17 1.3863 (12)
C2—H2 0.986 (12) C16—H16 0.959 (14)
C3—C4 1.3940 (13) C19—C21 1.3265 (13)
C3—H3 0.984 (13) C19—C20 1.4975 (14)
C4—C5 1.4005 (13) C20—H20A 0.992 (15)
C4—H4 0.980 (13) C20—H20B 0.998 (15)
C5—C6 1.3839 (12) C20—H20C 0.971 (15)
C5—H5 0.951 (14) C21—H21A 0.973 (14)
C8—C9 1.3271 (14) C21—H21B 0.993 (15)
O1···C10 3.2233 (12) C3···H11Avi 3.017 (12)
O1···C13 3.3381 (12) C4···H20Bvii 3.013 (14)
O1···C10i 3.3499 (12) C5···H11A 2.980 (12)
O2···C20 3.1500 (13) C7···H13 3.084 (13)
O2···C5 3.3598 (12) C7···H21Bv 2.962 (14)
O1···H11B 2.510 (12) C7···H10A 2.891 (14)
O1···H13 2.477 (13) C8···H2 2.956 (13)
O1···H10Ai 2.595 (14) C9···H2 2.981 (13)
O1···H20Cii 2.917 (15) C9···H15ix 2.898 (13)
O1···H10A 2.667 (14) C10···H9Bx 3.051 (14)
O2···H3iii 2.772 (13) C11···H2iii 3.077 (13)
O2···H5 2.493 (14) C11···H13 3.009 (13)
O2···H11A 2.505 (12) C11···H5 2.972 (13)
O2···H20C 2.581 (15) C13···H11B 2.965 (12)
O2···H10Biv 2.487 (14) C13···H9Aiii 3.051 (14)
O2···H15v 2.781 (14) C14···H9Aiii 2.989 (14)
N1···C3iv 3.3814 (12) C16···H21A 3.080 (14)
N2···C21v 3.4318 (13) C17···H21A 2.979 (14)
N3···H3iii 2.938 (13) C18···H16v 2.858 (14)
N3···H16v 2.920 (14) C18···H5 3.093 (14)
C1···C21v 3.5839 (13) C18···H20C 2.852 (15)
C2···C11vi 3.5159 (12) C18···H3iii 2.701 (13)
C2···C9 3.4314 (13) C19···H16 2.977 (14)
C3···C18vii 3.3908 (13) C21···H16 2.874 (14)
C3···C11vi 3.3994 (12) H2···H11Bvii 2.428 (18)
C7···C21v 3.5253 (13) H5···H11A 2.583 (18)
C16···C21 3.3315 (14) H9B···H10C 2.495 (19)
C16···C18viii 3.4599 (13) H9B···H10Bx 2.44 (2)
C1···H21Av 2.941 (14) H9B···H15ix 2.578 (19)
C1···H9A 3.064 (13) H10C···H9B 2.495 (19)
C1···H11Avi 2.946 (12) H20A···H21B 2.45 (2)
C2···H11Avi 2.786 (12) H20A···H20Axi 2.34 (2)
C7—N1—C6 110.21 (7) C8—C10—H10C 109.8 (8)
C7—N1—C11 122.19 (7) H10A—C10—H10C 107.5 (11)
C6—N1—C11 127.12 (7) H10B—C10—H10C 109.9 (11)
C7—N2—C1 110.10 (7) N1—C11—N3 114.04 (7)
C7—N2—C8 123.56 (7) N1—C11—H11A 109.1 (7)
C1—N2—C8 126.06 (8) N3—C11—H11A 107.2 (7)
C18—N3—C12 110.11 (7) N1—C11—H11B 107.4 (7)
C18—N3—C11 122.45 (7) N3—C11—H11B 108.7 (7)
C12—N3—C11 126.81 (7) H11A—C11—H11B 110.4 (10)
C18—N4—C17 109.78 (7) C13—C12—N3 131.31 (8)
C18—N4—C19 124.12 (7) C13—C12—C17 122.02 (8)
C17—N4—C19 125.86 (7) N3—C12—C17 106.66 (7)
C2—C1—N2 131.38 (8) C12—C13—C14 116.83 (8)
C2—C1—C6 121.47 (8) C12—C13—H13 121.4 (8)
N2—C1—C6 107.15 (8) C14—C13—H13 121.7 (8)
C1—C2—C3 117.10 (8) C15—C14—C13 121.19 (9)
C1—C2—H2 119.7 (7) C15—C14—H14 121.3 (8)
C3—C2—H2 123.2 (7) C13—C14—H14 117.5 (8)
C4—C3—C2 121.38 (8) C16—C15—C14 121.58 (9)
C4—C3—H3 117.6 (7) C16—C15—H15 118.0 (8)
C2—C3—H3 121.0 (7) C14—C15—H15 120.4 (8)
C3—C4—C5 121.44 (8) C17—C16—C15 117.13 (8)
C3—C4—H4 119.7 (8) C17—C16—H16 121.1 (8)
C5—C4—H4 118.8 (8) C15—C16—H16 121.8 (8)
C6—C5—C4 116.95 (8) C16—C17—N4 131.39 (8)
C6—C5—H5 118.6 (8) C16—C17—C12 121.25 (8)
C4—C5—H5 124.4 (8) N4—C17—C12 107.33 (7)
C5—C6—N1 131.61 (8) O2—C18—N4 127.76 (8)
C5—C6—C1 121.65 (8) O2—C18—N3 126.13 (8)
N1—C6—C1 106.75 (7) N4—C18—N3 106.11 (7)
O1—C7—N2 127.56 (8) C21—C19—N4 119.01 (9)
O1—C7—N1 126.66 (8) C21—C19—C20 125.66 (9)
N2—C7—N1 105.77 (7) N4—C19—C20 115.23 (8)
C9—C8—N2 118.63 (8) C19—C20—H20A 110.5 (9)
C9—C8—C10 127.17 (8) C19—C20—H20B 108.6 (8)
N2—C8—C10 114.13 (8) H20A—C20—H20B 107.6 (12)
C8—C9—H9A 121.6 (8) C19—C20—H20C 113.4 (9)
C8—C9—H9B 121.1 (8) H20A—C20—H20C 108.9 (12)
H9A—C9—H9B 117.2 (12) H20B—C20—H20C 107.6 (12)
C8—C10—H10A 110.9 (8) C19—C21—H21A 121.2 (8)
C8—C10—H10B 110.3 (8) C19—C21—H21B 119.9 (8)
H10A—C10—H10B 108.4 (11) H21A—C21—H21B 118.9 (12)
C7—N2—C1—C2 178.97 (9) C18—N3—C11—N1 −106.27 (9)
C8—N2—C1—C2 4.89 (14) C12—N3—C11—N1 83.78 (10)
C7—N2—C1—C6 −0.36 (9) C18—N3—C12—C13 −177.76 (9)
C8—N2—C1—C6 −174.44 (8) C11—N3—C12—C13 −6.78 (15)
N2—C1—C2—C3 −178.63 (8) C18—N3—C12—C17 1.01 (9)
C6—C1—C2—C3 0.62 (13) C11—N3—C12—C17 171.99 (8)
C1—C2—C3—C4 −0.86 (13) N3—C12—C13—C14 178.01 (9)
C2—C3—C4—C5 0.49 (14) C17—C12—C13—C14 −0.60 (13)
C3—C4—C5—C6 0.15 (13) C12—C13—C14—C15 0.41 (14)
C4—C5—C6—N1 179.51 (9) C13—C14—C15—C16 0.17 (15)
C4—C5—C6—C1 −0.39 (13) C14—C15—C16—C17 −0.55 (15)
C7—N1—C6—C5 −178.70 (9) C15—C16—C17—N4 −177.31 (9)
C11—N1—C6—C5 −6.53 (15) C15—C16—C17—C12 0.36 (14)
C7—N1—C6—C1 1.21 (9) C18—N4—C17—C16 177.76 (9)
C11—N1—C6—C1 173.38 (8) C19—N4—C17—C16 3.22 (16)
C2—C1—C6—C5 0.00 (13) C18—N4—C17—C12 −0.16 (10)
N2—C1—C6—C5 179.41 (8) C19—N4—C17—C12 −174.69 (8)
C2—C1—C6—N1 −179.92 (8) C13—C12—C17—C16 0.22 (14)
N2—C1—C6—N1 −0.51 (9) N3—C12—C17—C16 −178.69 (8)
C1—N2—C7—O1 −179.53 (8) C13—C12—C17—N4 178.40 (8)
C8—N2—C7—O1 −5.27 (14) N3—C12—C17—N4 −0.51 (9)
C1—N2—C7—N1 1.08 (9) C17—N4—C18—O2 −179.70 (9)
C8—N2—C7—N1 175.34 (7) C19—N4—C18—O2 −5.05 (15)
C6—N1—C7—O1 179.19 (8) C17—N4—C18—N3 0.76 (10)
C11—N1—C7—O1 6.57 (13) C19—N4—C18—N3 175.42 (8)
C6—N1—C7—N2 −1.42 (9) C12—N3—C18—O2 179.36 (9)
C11—N1—C7—N2 −174.04 (7) C11—N3—C18—O2 7.92 (14)
C7—N2—C8—C9 120.14 (10) C12—N3—C18—N4 −1.10 (9)
C1—N2—C8—C9 −66.54 (12) C11—N3—C18—N4 −172.54 (7)
C7—N2—C8—C10 −62.69 (11) C18—N4—C19—C21 127.96 (10)
C1—N2—C8—C10 110.64 (10) C17—N4—C19—C21 −58.25 (13)
C7—N1—C11—N3 −105.28 (9) C18—N4—C19—C20 −55.46 (12)
C6—N1—C11—N3 83.41 (10) C17—N4—C19—C20 118.33 (10)