Skip to main content
. 2021 Oct 29;77(Pt 11):1170–1174. doi: 10.1107/S2056989021010690
Br1—C23 1.8954 (19) C12—H12A 0.9700
C1—C8 1.344 (3) C12—H12B 0.9700
C1—O1 1.378 (2) C13—C16 1.530 (3)
C1—C2 1.489 (3) C13—C14 1.535 (3)
C2—C3 1.537 (3) C13—C15 1.536 (3)
C2—H2A 0.9700 C14—H14A 0.9600
C2—H2B 0.9700 C14—H14B 0.9600
C3—C5 1.529 (3) C14—H14C 0.9600
C3—C4 1.530 (3) C15—H15A 0.9600
C3—C6 1.534 (3) C15—H15B 0.9600
C4—H4A 0.9600 C15—H15C 0.9600
C4—H4B 0.9600 C16—C17 1.489 (3)
C4—H4C 0.9600 C16—H16A 0.9700
C5—H5A 0.9600 C16—H16B 0.9700
C5—H5B 0.9600 C17—O1 1.378 (2)
C5—H5C 0.9600 C18—C24 1.380 (3)
C6—C7 1.494 (3) C18—C19 1.395 (2)
C6—H6A 0.9700 C19—C20 1.383 (3)
C6—H6B 0.9700 C19—H19 0.9300
C7—O2 1.227 (2) C20—O5 1.378 (2)
C7—C8 1.471 (3) C20—C22 1.400 (3)
C8—C9 1.511 (3) C21—O5 1.403 (3)
C9—C10 1.515 (3) C21—H21A 0.9600
C9—C18 1.530 (2) C21—H21B 0.9600
C9—H9 0.98 (2) C21—H21C 0.9600
C10—C17 1.336 (3) C22—O4 1.362 (2)
C10—C11 1.470 (3) C22—C23 1.384 (3)
C11—O3 1.216 (3) C23—C24 1.387 (3)
C11—C12 1.510 (3) C24—H24 0.9300
C12—C13 1.533 (3) O4—H4 0.8200
C8—C1—O1 122.25 (17) H12A—C12—H12B 107.6
C8—C1—C2 126.24 (17) C16—C13—C12 107.75 (17)
O1—C1—C2 111.51 (15) C16—C13—C14 110.89 (18)
C1—C2—C3 112.21 (16) C12—C13—C14 110.14 (19)
C1—C2—H2A 109.2 C16—C13—C15 108.20 (18)
C3—C2—H2A 109.2 C12—C13—C15 110.44 (19)
C1—C2—H2B 109.2 C14—C13—C15 109.39 (19)
C3—C2—H2B 109.2 C13—C14—H14A 109.5
H2A—C2—H2B 107.9 C13—C14—H14B 109.5
C5—C3—C4 109.3 (2) H14A—C14—H14B 109.5
C5—C3—C6 111.04 (18) C13—C14—H14C 109.5
C4—C3—C6 109.72 (19) H14A—C14—H14C 109.5
C5—C3—C2 109.94 (19) H14B—C14—H14C 109.5
C4—C3—C2 109.43 (17) C13—C15—H15A 109.5
C6—C3—C2 107.36 (18) C13—C15—H15B 109.5
C3—C4—H4A 109.5 H15A—C15—H15B 109.5
C3—C4—H4B 109.5 C13—C15—H15C 109.5
H4A—C4—H4B 109.5 H15A—C15—H15C 109.5
C3—C4—H4C 109.5 H15B—C15—H15C 109.5
H4A—C4—H4C 109.5 C17—C16—C13 112.68 (16)
H4B—C4—H4C 109.5 C17—C16—H16A 109.1
C3—C5—H5A 109.5 C13—C16—H16A 109.1
C3—C5—H5B 109.5 C17—C16—H16B 109.1
H5A—C5—H5B 109.5 C13—C16—H16B 109.1
C3—C5—H5C 109.5 H16A—C16—H16B 107.8
H5A—C5—H5C 109.5 C10—C17—O1 123.42 (16)
H5B—C5—H5C 109.5 C10—C17—C16 125.17 (18)
C7—C6—C3 115.04 (17) O1—C17—C16 111.41 (15)
C7—C6—H6A 108.5 C24—C18—C19 119.37 (17)
C3—C6—H6A 108.5 C24—C18—C9 119.97 (16)
C7—C6—H6B 108.5 C19—C18—C9 120.58 (16)
C3—C6—H6B 108.5 C20—C19—C18 120.33 (17)
H6A—C6—H6B 107.5 C20—C19—H19 119.8
O2—C7—C8 119.91 (19) C18—C19—H19 119.8
O2—C7—C6 121.64 (18) O5—C20—C19 124.98 (18)
C8—C7—C6 118.42 (17) O5—C20—C22 114.18 (16)
C1—C8—C7 117.75 (18) C19—C20—C22 120.84 (17)
C1—C8—C9 123.31 (16) O5—C21—H21A 109.5
C7—C8—C9 118.90 (16) O5—C21—H21B 109.5
C8—C9—C10 109.09 (15) H21A—C21—H21B 109.5
C8—C9—C18 110.02 (15) O5—C21—H21C 109.5
C10—C9—C18 111.38 (15) H21A—C21—H21C 109.5
C8—C9—H9 107.8 (12) H21B—C21—H21C 109.5
C10—C9—H9 110.4 (11) O4—C22—C23 119.68 (17)
C18—C9—H9 108.0 (12) O4—C22—C20 122.66 (17)
C17—C10—C11 118.59 (17) C23—C22—C20 117.67 (16)
C17—C10—C9 122.45 (17) C22—C23—C24 121.99 (17)
C11—C10—C9 118.96 (16) C22—C23—Br1 119.16 (14)
O3—C11—C10 120.3 (2) C24—C23—Br1 118.84 (14)
O3—C11—C12 121.2 (2) C18—C24—C23 119.71 (16)
C10—C11—C12 118.47 (18) C18—C24—H24 120.1
C11—C12—C13 114.73 (18) C23—C24—H24 120.1
C11—C12—H12A 108.6 C1—O1—C17 118.39 (14)
C13—C12—H12A 108.6 C22—O4—H4 109.5
C11—C12—H12B 108.6 C20—O5—C21 117.51 (16)
C13—C12—H12B 108.6
C8—C1—C2—C3 24.0 (3) C12—C13—C16—C17 49.6 (2)
O1—C1—C2—C3 −156.46 (16) C14—C13—C16—C17 −71.0 (2)
C1—C2—C3—C5 72.5 (2) C15—C13—C16—C17 169.04 (18)
C1—C2—C3—C4 −167.4 (2) C11—C10—C17—O1 175.94 (16)
C1—C2—C3—C6 −48.4 (2) C9—C10—C17—O1 −4.1 (3)
C5—C3—C6—C7 −67.4 (2) C11—C10—C17—C16 −4.0 (3)
C4—C3—C6—C7 171.63 (19) C9—C10—C17—C16 175.98 (17)
C2—C3—C6—C7 52.8 (2) C13—C16—C17—C10 −24.5 (3)
C3—C6—C7—O2 151.79 (19) C13—C16—C17—O1 155.55 (16)
C3—C6—C7—C8 −30.3 (3) C8—C9—C18—C24 −68.8 (2)
O1—C1—C8—C7 −177.95 (16) C10—C9—C18—C24 52.3 (2)
C2—C1—C8—C7 1.5 (3) C8—C9—C18—C19 107.97 (19)
O1—C1—C8—C9 4.6 (3) C10—C9—C18—C19 −130.94 (18)
C2—C1—C8—C9 −175.96 (17) C24—C18—C19—C20 2.5 (3)
O2—C7—C8—C1 179.28 (17) C9—C18—C19—C20 −174.21 (17)
C6—C7—C8—C1 1.3 (3) C18—C19—C20—O5 178.32 (18)
O2—C7—C8—C9 −3.1 (3) C18—C19—C20—C22 −0.9 (3)
C6—C7—C8—C9 178.92 (17) O5—C20—C22—O4 −0.8 (3)
C1—C8—C9—C10 −10.9 (2) C19—C20—C22—O4 178.46 (18)
C7—C8—C9—C10 171.59 (15) O5—C20—C22—C23 178.72 (17)
C1—C8—C9—C18 111.52 (19) C19—C20—C22—C23 −2.0 (3)
C7—C8—C9—C18 −65.9 (2) O4—C22—C23—C24 −177.13 (18)
C8—C9—C10—C17 10.7 (2) C20—C22—C23—C24 3.3 (3)
C18—C9—C10—C17 −111.0 (2) O4—C22—C23—Br1 2.0 (3)
C8—C9—C10—C11 −169.39 (16) C20—C22—C23—Br1 −177.59 (14)
C18—C9—C10—C11 69.0 (2) C19—C18—C24—C23 −1.3 (3)
C17—C10—C11—O3 −174.2 (2) C9—C18—C24—C23 175.50 (17)
C9—C10—C11—O3 5.9 (3) C22—C23—C24—C18 −1.7 (3)
C17—C10—C11—C12 3.5 (3) Br1—C23—C24—C18 179.19 (14)
C9—C10—C11—C12 −176.41 (18) C8—C1—O1—C17 3.6 (2)
O3—C11—C12—C13 −156.7 (2) C2—C1—O1—C17 −175.94 (15)
C10—C11—C12—C13 25.6 (3) C10—C17—O1—C1 −3.8 (3)
C11—C12—C13—C16 −50.9 (2) C16—C17—O1—C1 176.09 (15)
C11—C12—C13—C14 70.2 (2) C19—C20—O5—C21 3.2 (3)
C11—C12—C13—C15 −168.9 (2) C22—C20—O5—C21 −177.50 (19)