| S1—O2 | 1.4349 (11) | C10—H10B | 0.9900 |
| S1—O3 | 1.4365 (11) | C11—C12 | 1.513 (2) |
| S1—C1 | 1.7312 (15) | C11—H11A | 0.9900 |
| S1—C16 | 1.7687 (14) | C11—H11B | 0.9900 |
| O1—C8 | 1.3658 (19) | C12—C13 | 1.513 (3) |
| O1—C7 | 1.3804 (18) | C12—H12A | 0.9900 |
| F1—C20 | 1.3529 (18) | C12—H12B | 0.9900 |
| C1—C8 | 1.363 (2) | C13—C14 | 1.529 (2) |
| C1—C2 | 1.449 (2) | C13—H13A | 0.9900 |
| C2—C7 | 1.390 (2) | C13—H13B | 0.9900 |
| C2—C3 | 1.3948 (19) | C14—H14A | 0.9900 |
| C3—C4 | 1.392 (2) | C14—H14B | 0.9900 |
| C3—H3 | 0.9500 | C15—H15A | 0.9800 |
| C4—C5 | 1.404 (2) | C15—H15B | 0.9800 |
| C4—C9 | 1.512 (2) | C15—H15C | 0.9800 |
| C5—C6 | 1.384 (2) | C16—C17 | 1.386 (2) |
| C5—H5 | 0.9500 | C16—C21 | 1.3859 (19) |
| C6—C7 | 1.374 (2) | C17—C18 | 1.379 (2) |
| C6—H6 | 0.9500 | C17—H17 | 0.9500 |
| C8—C15 | 1.481 (2) | C18—C19 | 1.380 (2) |
| C9—C14 | 1.527 (2) | C18—H18 | 0.9500 |
| C9—C10 | 1.528 (2) | C19—C20 | 1.372 (2) |
| C9—H9 | 1.0000 | C19—H19 | 0.9500 |
| C10—C11 | 1.523 (2) | C20—C21 | 1.371 (2) |
| C10—H10A | 0.9900 | C21—H21 | 0.9500 |
| O2—S1—O3 | 119.54 (7) | C12—C11—H11B | 109.4 |
| O2—S1—C1 | 108.36 (7) | C10—C11—H11B | 109.4 |
| O3—S1—C1 | 107.84 (7) | H11A—C11—H11B | 108.0 |
| O2—S1—C16 | 107.91 (7) | C13—C12—C11 | 111.25 (14) |
| O3—S1—C16 | 107.44 (6) | C13—C12—H12A | 109.4 |
| C1—S1—C16 | 104.81 (7) | C11—C12—H12A | 109.4 |
| C8—O1—C7 | 107.21 (11) | C13—C12—H12B | 109.4 |
| C8—C1—C2 | 107.75 (13) | C11—C12—H12B | 109.4 |
| C8—C1—S1 | 126.44 (12) | H12A—C12—H12B | 108.0 |
| C2—C1—S1 | 125.81 (11) | C12—C13—C14 | 111.28 (14) |
| C7—C2—C3 | 119.28 (13) | C12—C13—H13A | 109.4 |
| C7—C2—C1 | 104.39 (13) | C14—C13—H13A | 109.4 |
| C3—C2—C1 | 136.33 (13) | C12—C13—H13B | 109.4 |
| C4—C3—C2 | 118.89 (13) | C14—C13—H13B | 109.4 |
| C4—C3—H3 | 120.6 | H13A—C13—H13B | 108.0 |
| C2—C3—H3 | 120.6 | C9—C14—C13 | 111.48 (13) |
| C3—C4—C5 | 119.47 (14) | C9—C14—H14A | 109.3 |
| C3—C4—C9 | 121.33 (13) | C13—C14—H14A | 109.3 |
| C5—C4—C9 | 119.19 (13) | C9—C14—H14B | 109.3 |
| C6—C5—C4 | 122.50 (15) | C13—C14—H14B | 109.3 |
| C6—C5—H5 | 118.8 | H14A—C14—H14B | 108.0 |
| C4—C5—H5 | 118.8 | C8—C15—H15A | 109.5 |
| C7—C6—C5 | 116.30 (14) | C8—C15—H15B | 109.5 |
| C7—C6—H6 | 121.9 | H15A—C15—H15B | 109.5 |
| C5—C6—H6 | 121.9 | C8—C15—H15C | 109.5 |
| C6—C7—O1 | 125.90 (14) | H15A—C15—H15C | 109.5 |
| C6—C7—C2 | 123.57 (15) | H15B—C15—H15C | 109.5 |
| O1—C7—C2 | 110.54 (13) | C17—C16—C21 | 121.89 (14) |
| C1—C8—O1 | 110.12 (13) | C17—C16—S1 | 119.07 (11) |
| C1—C8—C15 | 134.83 (15) | C21—C16—S1 | 119.03 (11) |
| O1—C8—C15 | 115.05 (13) | C18—C17—C16 | 118.91 (14) |
| C4—C9—C14 | 111.66 (12) | C18—C17—H17 | 120.5 |
| C4—C9—C10 | 113.05 (12) | C16—C17—H17 | 120.5 |
| C14—C9—C10 | 109.95 (13) | C17—C18—C19 | 120.57 (15) |
| C4—C9—H9 | 107.3 | C17—C18—H18 | 119.7 |
| C14—C9—H9 | 107.3 | C19—C18—H18 | 119.7 |
| C10—C9—H9 | 107.3 | C20—C19—C18 | 118.49 (15) |
| C11—C10—C9 | 111.75 (13) | C20—C19—H19 | 120.8 |
| C11—C10—H10A | 109.3 | C18—C19—H19 | 120.8 |
| C9—C10—H10A | 109.3 | F1—C20—C21 | 118.15 (15) |
| C11—C10—H10B | 109.3 | F1—C20—C19 | 118.49 (15) |
| C9—C10—H10B | 109.3 | C21—C20—C19 | 123.35 (15) |
| H10A—C10—H10B | 107.9 | C20—C21—C16 | 116.78 (14) |
| C12—C11—C10 | 111.36 (13) | C20—C21—H21 | 121.6 |
| C12—C11—H11A | 109.4 | C16—C21—H21 | 121.6 |
| C10—C11—H11A | 109.4 | ||
| O2—S1—C1—C8 | −9.28 (16) | C7—O1—C8—C15 | −179.52 (13) |
| O3—S1—C1—C8 | −140.01 (13) | C3—C4—C9—C14 | 77.39 (18) |
| C16—S1—C1—C8 | 105.74 (14) | C5—C4—C9—C14 | −101.21 (17) |
| O2—S1—C1—C2 | 171.80 (12) | C3—C4—C9—C10 | −47.21 (18) |
| O3—S1—C1—C2 | 41.07 (14) | C5—C4—C9—C10 | 134.19 (15) |
| C16—S1—C1—C2 | −73.18 (13) | C4—C9—C10—C11 | −179.06 (12) |
| C8—C1—C2—C7 | 0.06 (16) | C14—C9—C10—C11 | 55.41 (17) |
| S1—C1—C2—C7 | 179.14 (11) | C9—C10—C11—C12 | −55.78 (18) |
| C8—C1—C2—C3 | −179.27 (16) | C10—C11—C12—C13 | 55.33 (18) |
| S1—C1—C2—C3 | −0.2 (2) | C11—C12—C13—C14 | −55.4 (2) |
| C7—C2—C3—C4 | −0.2 (2) | C4—C9—C14—C13 | 178.28 (15) |
| C1—C2—C3—C4 | 179.09 (15) | C10—C9—C14—C13 | −55.41 (19) |
| C2—C3—C4—C5 | 0.1 (2) | C12—C13—C14—C9 | 56.0 (2) |
| C2—C3—C4—C9 | −178.48 (12) | O2—S1—C16—C17 | 33.39 (14) |
| C3—C4—C5—C6 | 0.0 (2) | O3—S1—C16—C17 | 163.52 (12) |
| C9—C4—C5—C6 | 178.61 (14) | C1—S1—C16—C17 | −81.94 (13) |
| C4—C5—C6—C7 | 0.0 (2) | O2—S1—C16—C21 | −146.01 (12) |
| C5—C6—C7—O1 | −179.39 (14) | O3—S1—C16—C21 | −15.88 (13) |
| C5—C6—C7—C2 | 0.0 (2) | C1—S1—C16—C21 | 98.66 (12) |
| C8—O1—C7—C6 | 179.21 (15) | C21—C16—C17—C18 | −0.7 (2) |
| C8—O1—C7—C2 | −0.24 (16) | S1—C16—C17—C18 | 179.92 (13) |
| C3—C2—C7—C6 | 0.1 (2) | C16—C17—C18—C19 | 0.5 (3) |
| C1—C2—C7—C6 | −179.35 (15) | C17—C18—C19—C20 | −0.2 (3) |
| C3—C2—C7—O1 | 179.58 (12) | C18—C19—C20—F1 | 179.37 (17) |
| C1—C2—C7—O1 | 0.11 (16) | C18—C19—C20—C21 | 0.0 (3) |
| C2—C1—C8—O1 | −0.20 (17) | F1—C20—C21—C16 | −179.53 (14) |
| S1—C1—C8—O1 | −179.28 (10) | C19—C20—C21—C16 | −0.2 (3) |
| C2—C1—C8—C15 | 179.53 (17) | C17—C16—C21—C20 | 0.5 (2) |
| S1—C1—C8—C15 | 0.5 (3) | S1—C16—C21—C20 | 179.91 (12) |
| C7—O1—C8—C1 | 0.27 (16) |