Br1—C8 | 1.9019 (19) | C12—H12B | 0.9800 |
O1—C2 | 1.424 (2) | C12—H12C | 0.9800 |
O1—C5 | 1.448 (2) | C13—C14 | 1.513 (3) |
C2—N3 | 1.472 (2) | C13—H13A | 0.9900 |
C2—C6 | 1.509 (3) | C13—H13B | 0.9900 |
C2—H2 | 1.0000 | C14—C19 | 1.404 (3) |
N3—C12 | 1.465 (2) | C14—C15 | 1.407 (3) |
N3—C4 | 1.472 (3) | C15—C16 | 1.401 (3) |
C4—C5 | 1.525 (3) | C15—C20 | 1.505 (3) |
C4—H4A | 0.9900 | C16—C17 | 1.382 (4) |
C4—H4B | 0.9900 | C16—H16 | 0.9500 |
C5—C13 | 1.524 (3) | C17—C18 | 1.385 (4) |
C5—H5 | 1.0000 | C17—C21 | 1.513 (4) |
C6—C7 | 1.388 (3) | C18—C19 | 1.399 (4) |
C6—C11 | 1.404 (3) | C18—H18 | 0.9500 |
C7—C8 | 1.389 (3) | C19—C22 | 1.510 (4) |
C7—H7 | 0.9500 | C20—H20A | 0.9800 |
C8—C9 | 1.388 (3) | C20—H20B | 0.9800 |
C9—C10 | 1.383 (3) | C20—H20C | 0.9800 |
C9—H9 | 0.9500 | C21—H21A | 0.9800 |
C10—C11 | 1.396 (3) | C21—H21B | 0.9800 |
C10—H10 | 0.9500 | C21—H21C | 0.9800 |
C11—O11 | 1.356 (2) | C22—H22A | 0.9800 |
O11—H11 | 0.81 (4) | C22—H22B | 0.9800 |
C12—H12A | 0.9800 | C22—H22C | 0.9800 |
C2—O1—C5 | 108.79 (14) | H12A—C12—H12C | 109.5 |
O1—C2—N3 | 104.01 (15) | H12B—C12—H12C | 109.5 |
O1—C2—C6 | 109.02 (15) | C14—C13—C5 | 113.25 (17) |
N3—C2—C6 | 112.83 (16) | C14—C13—H13A | 108.9 |
O1—C2—H2 | 110.3 | C5—C13—H13A | 108.9 |
N3—C2—H2 | 110.3 | C14—C13—H13B | 108.9 |
C6—C2—H2 | 110.3 | C5—C13—H13B | 108.9 |
C12—N3—C2 | 112.92 (16) | H13A—C13—H13B | 107.7 |
C12—N3—C4 | 113.51 (15) | C19—C14—C15 | 119.3 (2) |
C2—N3—C4 | 102.26 (15) | C19—C14—C13 | 120.0 (2) |
N3—C4—C5 | 101.41 (15) | C15—C14—C13 | 120.7 (2) |
N3—C4—H4A | 111.5 | C16—C15—C14 | 119.4 (2) |
C5—C4—H4A | 111.5 | C16—C15—C20 | 118.9 (2) |
N3—C4—H4B | 111.5 | C14—C15—C20 | 121.7 (2) |
C5—C4—H4B | 111.5 | C17—C16—C15 | 121.8 (2) |
H4A—C4—H4B | 109.3 | C17—C16—H16 | 119.1 |
O1—C5—C13 | 110.61 (17) | C15—C16—H16 | 119.1 |
O1—C5—C4 | 104.45 (16) | C16—C17—C18 | 118.2 (2) |
C13—C5—C4 | 113.71 (17) | C16—C17—C21 | 120.5 (3) |
O1—C5—H5 | 109.3 | C18—C17—C21 | 121.3 (3) |
C13—C5—H5 | 109.3 | C17—C18—C19 | 122.1 (2) |
C4—C5—H5 | 109.3 | C17—C18—H18 | 119.0 |
C7—C6—C11 | 119.50 (17) | C19—C18—H18 | 119.0 |
C7—C6—C2 | 119.82 (17) | C18—C19—C14 | 119.2 (2) |
C11—C6—C2 | 120.64 (17) | C18—C19—C22 | 118.8 (2) |
C6—C7—C8 | 119.94 (18) | C14—C19—C22 | 122.0 (2) |
C6—C7—H7 | 120.0 | C15—C20—H20A | 109.5 |
C8—C7—H7 | 120.0 | C15—C20—H20B | 109.5 |
C9—C8—C7 | 121.00 (18) | H20A—C20—H20B | 109.5 |
C9—C8—Br1 | 119.54 (14) | C15—C20—H20C | 109.5 |
C7—C8—Br1 | 119.46 (15) | H20A—C20—H20C | 109.5 |
C10—C9—C8 | 119.20 (17) | H20B—C20—H20C | 109.5 |
C10—C9—H9 | 120.4 | C17—C21—H21A | 109.5 |
C8—C9—H9 | 120.4 | C17—C21—H21B | 109.5 |
C9—C10—C11 | 120.70 (18) | H21A—C21—H21B | 109.5 |
C9—C10—H10 | 119.7 | C17—C21—H21C | 109.5 |
C11—C10—H10 | 119.7 | H21A—C21—H21C | 109.5 |
O11—C11—C10 | 118.61 (18) | H21B—C21—H21C | 109.5 |
O11—C11—C6 | 121.74 (17) | C19—C22—H22A | 109.5 |
C10—C11—C6 | 119.65 (18) | C19—C22—H22B | 109.5 |
C11—O11—H11 | 105 (2) | H22A—C22—H22B | 109.5 |
N3—C12—H12A | 109.5 | C19—C22—H22C | 109.5 |
N3—C12—H12B | 109.5 | H22A—C22—H22C | 109.5 |
H12A—C12—H12B | 109.5 | H22B—C22—H22C | 109.5 |
N3—C12—H12C | 109.5 | ||
C5—O1—C2—N3 | 23.8 (2) | C7—C6—C11—O11 | 179.93 (17) |
C5—O1—C2—C6 | 144.39 (16) | C2—C6—C11—O11 | −2.2 (3) |
O1—C2—N3—C12 | −163.70 (15) | C7—C6—C11—C10 | 0.9 (3) |
C6—C2—N3—C12 | 78.3 (2) | C2—C6—C11—C10 | 178.71 (17) |
O1—C2—N3—C4 | −41.36 (18) | O1—C5—C13—C14 | 64.6 (2) |
C6—C2—N3—C4 | −159.35 (16) | C4—C5—C13—C14 | −178.21 (18) |
C12—N3—C4—C5 | 163.78 (17) | C5—C13—C14—C19 | 80.4 (2) |
C2—N3—C4—C5 | 41.84 (18) | C5—C13—C14—C15 | −99.8 (2) |
C2—O1—C5—C13 | 125.28 (18) | C19—C14—C15—C16 | 1.7 (3) |
C2—O1—C5—C4 | 2.6 (2) | C13—C14—C15—C16 | −178.05 (18) |
N3—C4—C5—O1 | −27.6 (2) | C19—C14—C15—C20 | −178.2 (2) |
N3—C4—C5—C13 | −148.32 (17) | C13—C14—C15—C20 | 2.1 (3) |
O1—C2—C6—C7 | 98.9 (2) | C14—C15—C16—C17 | −1.0 (3) |
N3—C2—C6—C7 | −146.13 (17) | C20—C15—C16—C17 | 178.9 (2) |
O1—C2—C6—C11 | −79.0 (2) | C15—C16—C17—C18 | −0.1 (4) |
N3—C2—C6—C11 | 36.0 (2) | C15—C16—C17—C21 | 179.6 (2) |
C11—C6—C7—C8 | −0.7 (3) | C16—C17—C18—C19 | 0.5 (4) |
C2—C6—C7—C8 | −178.59 (17) | C21—C17—C18—C19 | −179.2 (3) |
C6—C7—C8—C9 | −0.2 (3) | C17—C18—C19—C14 | 0.2 (4) |
C6—C7—C8—Br1 | −179.44 (14) | C17—C18—C19—C22 | 179.8 (3) |
C7—C8—C9—C10 | 1.0 (3) | C15—C14—C19—C18 | −1.3 (3) |
Br1—C8—C9—C10 | −179.76 (14) | C13—C14—C19—C18 | 178.4 (2) |
C8—C9—C10—C11 | −0.9 (3) | C15—C14—C19—C22 | 179.1 (2) |
C9—C10—C11—O11 | −179.15 (17) | C13—C14—C19—C22 | −1.1 (3) |
C9—C10—C11—C6 | −0.1 (3) |