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. 2020 Apr 9;76(Pt 5):642–645. doi: 10.1107/S2056989020004521
O1—C7 1.2388 (19) C12—H12A 1.04 (2)
O2—C16 1.2096 (19) C12—H12B 1.01 (2)
O3—C16 1.3376 (19) C13—C14 1.515 (3)
O3—C17 1.451 (2) C13—H13A 1.05 (2)
N1—C7 1.380 (2) C13—H13B 1.00 (2)
N1—C6 1.395 (2) C14—C15 1.511 (3)
N1—C10 1.471 (2) C14—H14A 1.02 (3)
C1—C2 1.408 (2) C14—H14B 0.98 (3)
C1—C6 1.413 (2) C15—H15A 1.02 (3)
C1—C9 1.447 (2) C15—H15B 1.03 (3)
C2—C3 1.374 (2) C15—H15C 1.02 (3)
C2—H2 0.985 (19) C17—C18 1.507 (2)
C3—C4 1.390 (2) C17—H17A 0.992 (19)
C3—H3 0.998 (19) C17—H17B 0.98 (2)
C4—C5 1.378 (2) C18—C19 1.522 (2)
C4—H4 0.956 (18) C18—H18A 0.99 (2)
C5—C6 1.404 (2) C18—H18B 0.99 (2)
C5—H5 0.988 (18) C19—C20 1.521 (2)
C7—C8 1.451 (2) C19—H19A 0.97 (2)
C8—C9 1.346 (2) C19—H19B 1.01 (2)
C8—H8 0.945 (19) C20—C21 1.515 (3)
C9—C16 1.502 (2) C20—H20A 0.98 (2)
C10—C11 1.525 (2) C20—H20B 0.99 (2)
C10—H10A 1.011 (18) C21—C22 1.518 (3)
C10—H10B 1.015 (18) C21—H21A 1.02 (2)
C11—C12 1.521 (2) C21—H21B 1.00 (3)
C11—H11A 0.997 (17) C22—H22A 0.97 (3)
C11—H11B 1.022 (18) C22—H22B 1.01 (3)
C12—C13 1.516 (3) C22—H22C 1.01 (3)
C16—O3—C17 115.00 (13) C12—C13—H13B 109.7 (12)
C7—N1—C6 123.04 (14) H13A—C13—H13B 105.0 (16)
C7—N1—C10 117.09 (13) C15—C14—C13 114.0 (2)
C6—N1—C10 119.84 (13) C15—C14—H14A 106.8 (14)
C2—C1—C6 118.59 (14) C13—C14—H14A 109.8 (14)
C2—C1—C9 124.05 (15) C15—C14—H14B 110.3 (14)
C6—C1—C9 117.37 (14) C13—C14—H14B 110.2 (14)
C3—C2—C1 121.07 (16) H14A—C14—H14B 105 (2)
C3—C2—H2 119.7 (11) C14—C15—H15A 111.5 (16)
C1—C2—H2 119.3 (11) C14—C15—H15B 112.2 (15)
C2—C3—C4 120.01 (16) H15A—C15—H15B 106 (2)
C2—C3—H3 122.4 (11) C14—C15—H15C 107.7 (16)
C4—C3—H3 117.5 (11) H15A—C15—H15C 111 (2)
C5—C4—C3 120.45 (16) H15B—C15—H15C 108 (2)
C5—C4—H4 118.9 (11) O2—C16—O3 123.42 (15)
C3—C4—H4 120.6 (11) O2—C16—C9 124.59 (15)
C4—C5—C6 120.45 (16) O3—C16—C9 111.96 (13)
C4—C5—H5 119.7 (10) O3—C17—C18 108.01 (14)
C6—C5—H5 119.9 (10) O3—C17—H17A 108.2 (11)
N1—C6—C5 120.25 (15) C18—C17—H17A 112.2 (11)
N1—C6—C1 120.34 (14) O3—C17—H17B 108.5 (12)
C5—C6—C1 119.41 (14) C18—C17—H17B 111.1 (11)
O1—C7—N1 121.22 (15) H17A—C17—H17B 108.8 (16)
O1—C7—C8 122.79 (15) C17—C18—C19 111.86 (15)
N1—C7—C8 115.96 (14) C17—C18—H18A 108.8 (11)
C9—C8—C7 122.71 (15) C19—C18—H18A 112.4 (12)
C9—C8—H8 121.0 (11) C17—C18—H18B 108.6 (11)
C7—C8—H8 116.2 (11) C19—C18—H18B 107.9 (11)
C8—C9—C1 120.44 (15) H18A—C18—H18B 107.1 (15)
C8—C9—C16 118.29 (14) C20—C19—C18 113.51 (15)
C1—C9—C16 121.13 (14) C20—C19—H19A 109.0 (12)
N1—C10—C11 113.70 (13) C18—C19—H19A 110.2 (12)
N1—C10—H10A 106.4 (10) C20—C19—H19B 108.3 (11)
C11—C10—H10A 111.3 (10) C18—C19—H19B 108.6 (12)
N1—C10—H10B 105.1 (10) H19A—C19—H19B 107.0 (17)
C11—C10—H10B 110.0 (10) C21—C20—C19 113.87 (16)
H10A—C10—H10B 110.2 (14) C21—C20—H20A 109.8 (13)
C12—C11—C10 110.15 (14) C19—C20—H20A 109.0 (12)
C12—C11—H11A 109.5 (10) C21—C20—H20B 109.1 (12)
C10—C11—H11A 111.0 (10) C19—C20—H20B 108.0 (12)
C12—C11—H11B 108.9 (10) H20A—C20—H20B 106.7 (17)
C10—C11—H11B 109.7 (11) C20—C21—C22 112.87 (18)
H11A—C11—H11B 107.6 (14) C20—C21—H21A 108.7 (13)
C13—C12—C11 114.40 (15) C22—C21—H21A 110.7 (13)
C13—C12—H12A 108.3 (11) C20—C21—H21B 108.2 (14)
C11—C12—H12A 109.1 (11) C22—C21—H21B 109.4 (14)
C13—C12—H12B 108.1 (12) H21A—C21—H21B 106.7 (19)
C11—C12—H12B 109.7 (12) C21—C22—H22A 112.0 (16)
H12A—C12—H12B 107.0 (16) C21—C22—H22B 111.1 (15)
C14—C13—C12 112.89 (17) H22A—C22—H22B 106 (2)
C14—C13—H13A 109.1 (11) C21—C22—H22C 111.1 (14)
C12—C13—H13A 108.5 (11) H22A—C22—H22C 110 (2)
C14—C13—H13B 111.3 (12) H22B—C22—H22C 107 (2)
C6—C1—C2—C3 −1.6 (2) C7—C8—C9—C16 −173.12 (13)
C9—C1—C2—C3 178.89 (14) C2—C1—C9—C8 176.52 (15)
C1—C2—C3—C4 0.5 (2) C6—C1—C9—C8 −3.0 (2)
C2—C3—C4—C5 0.9 (2) C2—C1—C9—C16 −7.8 (2)
C3—C4—C5—C6 −1.2 (2) C6—C1—C9—C16 172.65 (13)
C7—N1—C6—C5 −177.49 (14) C7—N1—C10—C11 99.07 (16)
C10—N1—C6—C5 4.7 (2) C6—N1—C10—C11 −82.96 (17)
C7—N1—C6—C1 3.2 (2) N1—C10—C11—C12 171.38 (14)
C10—N1—C6—C1 −174.68 (13) C10—C11—C12—C13 −178.17 (15)
C4—C5—C6—N1 −179.30 (14) C11—C12—C13—C14 −179.66 (16)
C4—C5—C6—C1 0.1 (2) C12—C13—C14—C15 −179.8 (2)
C2—C1—C6—N1 −179.37 (13) C17—O3—C16—O2 −8.3 (2)
C9—C1—C6—N1 0.2 (2) C17—O3—C16—C9 169.68 (13)
C2—C1—C6—C5 1.3 (2) C8—C9—C16—O2 143.61 (17)
C9—C1—C6—C5 −179.14 (13) C1—C9—C16—O2 −32.2 (2)
C6—N1—C7—O1 178.45 (14) C8—C9—C16—O3 −34.38 (19)
C10—N1—C7—O1 −3.6 (2) C1—C9—C16—O3 149.83 (14)
C6—N1—C7—C8 −3.5 (2) C16—O3—C17—C18 −175.71 (14)
C10—N1—C7—C8 174.39 (13) O3—C17—C18—C19 174.17 (14)
O1—C7—C8—C9 178.56 (15) C17—C18—C19—C20 −170.54 (17)
N1—C7—C8—C9 0.6 (2) C18—C19—C20—C21 177.03 (17)
C7—C8—C9—C1 2.7 (2) C19—C20—C21—C22 −174.6 (2)