O1—C5 | 1.3506 (13) | C13—H13 | 1.0 |
O1—N1 | 1.4100 (11) | C14—C15 | 1.5067 (16) |
N1—C1 | 1.3138 (14) | C14—H14A | 0.99 |
C1—C4 | 1.4122 (14) | C14—H14B | 0.99 |
C1—C2 | 1.4734 (14) | C15—C20 | 1.3937 (16) |
C2—O2 | 1.2176 (13) | C15—C16 | 1.3968 (15) |
C2—N2 | 1.3873 (13) | C16—C17 | 1.3857 (17) |
N2—N3 | 1.3979 (12) | C16—H16 | 0.95 |
N2—C6 | 1.4434 (13) | C17—C18 | 1.3851 (17) |
N3—C3 | 1.2961 (13) | C17—H17 | 0.95 |
C3—C4 | 1.4425 (15) | C18—C19 | 1.3898 (16) |
C3—C12 | 1.4909 (15) | C18—H18 | 0.95 |
C4—C5 | 1.3688 (15) | C19—C20 | 1.3839 (17) |
C5—C13 | 1.4986 (14) | C19—H19 | 0.95 |
C6—C7 | 1.3851 (15) | C20—H20 | 0.95 |
C6—C11 | 1.3869 (15) | C21—C27 | 1.5105 (16) |
C7—C8 | 1.3906 (16) | C21—H21A | 0.99 |
C7—H7 | 0.95 | C21—H21B | 0.99 |
C8—C9 | 1.3835 (16) | C22—C23 | 1.3850 (17) |
C8—H8 | 0.95 | C22—C27 | 1.3940 (16) |
C9—C10 | 1.3861 (16) | C22—H22 | 0.95 |
C9—H9 | 0.95 | C23—C24 | 1.3847 (18) |
C10—C11 | 1.3895 (15) | C23—H23 | 0.95 |
C10—H10 | 0.95 | C24—C25 | 1.3825 (18) |
C11—H11 | 0.95 | C24—H24 | 0.95 |
C12—H12A | 0.98 | C25—C26 | 1.3893 (18) |
C12—H12B | 0.98 | C25—H25 | 0.95 |
C12—H12C | 0.98 | C26—C27 | 1.3881 (16) |
C13—C21 | 1.5431 (15) | C26—H26 | 0.95 |
C13—C14 | 1.5492 (15) | ||
C5—O1—N1 | 110.86 (8) | C14—C13—H13 | 107.2 |
C1—N1—O1 | 103.37 (8) | C15—C14—C13 | 109.92 (8) |
N1—C1—C4 | 113.41 (9) | C15—C14—H14A | 109.7 |
N1—C1—C2 | 124.88 (9) | C13—C14—H14A | 109.7 |
C4—C1—C2 | 121.68 (9) | C15—C14—H14B | 109.7 |
O2—C2—N2 | 123.36 (9) | C13—C14—H14B | 109.7 |
O2—C2—C1 | 125.71 (10) | H14A—C14—H14B | 108.2 |
N2—C2—C1 | 110.93 (9) | C20—C15—C16 | 118.33 (10) |
C2—N2—N3 | 127.80 (8) | C20—C15—C14 | 119.92 (10) |
C2—N2—C6 | 120.74 (8) | C16—C15—C14 | 121.55 (10) |
N3—N2—C6 | 111.46 (8) | C17—C16—C15 | 120.73 (10) |
C3—N3—N2 | 119.61 (9) | C17—C16—H16 | 119.6 |
N3—C3—C4 | 120.23 (9) | C15—C16—H16 | 119.6 |
N3—C3—C12 | 116.70 (9) | C18—C17—C16 | 120.33 (10) |
C4—C3—C12 | 123.07 (9) | C18—C17—H17 | 119.8 |
C5—C4—C1 | 104.21 (9) | C16—C17—H17 | 119.8 |
C5—C4—C3 | 136.51 (10) | C17—C18—C19 | 119.48 (11) |
C1—C4—C3 | 119.28 (9) | C17—C18—H18 | 120.3 |
O1—C5—C4 | 108.15 (9) | C19—C18—H18 | 120.3 |
O1—C5—C13 | 115.96 (9) | C20—C19—C18 | 120.14 (11) |
C4—C5—C13 | 135.89 (10) | C20—C19—H19 | 119.9 |
C7—C6—C11 | 121.11 (10) | C18—C19—H19 | 119.9 |
C7—C6—N2 | 119.36 (9) | C19—C20—C15 | 120.97 (10) |
C11—C6—N2 | 119.33 (9) | C19—C20—H20 | 119.5 |
C6—C7—C8 | 119.17 (10) | C15—C20—H20 | 119.5 |
C6—C7—H7 | 120.4 | C27—C21—C13 | 110.58 (9) |
C8—C7—H7 | 120.4 | C27—C21—H21A | 109.5 |
C9—C8—C7 | 120.33 (10) | C13—C21—H21A | 109.5 |
C9—C8—H8 | 119.8 | C27—C21—H21B | 109.5 |
C7—C8—H8 | 119.8 | C13—C21—H21B | 109.5 |
C8—C9—C10 | 119.94 (10) | H21A—C21—H21B | 108.1 |
C8—C9—H9 | 120.0 | C23—C22—C27 | 121.42 (11) |
C10—C9—H9 | 120.0 | C23—C22—H22 | 119.3 |
C9—C10—C11 | 120.40 (10) | C27—C22—H22 | 119.3 |
C9—C10—H10 | 119.8 | C24—C23—C22 | 119.85 (11) |
C11—C10—H10 | 119.8 | C24—C23—H23 | 120.1 |
C6—C11—C10 | 119.05 (10) | C22—C23—H23 | 120.1 |
C6—C11—H11 | 120.5 | C25—C24—C23 | 119.42 (11) |
C10—C11—H11 | 120.5 | C25—C24—H24 | 120.3 |
C3—C12—H12A | 109.5 | C23—C24—H24 | 120.3 |
C3—C12—H12B | 109.5 | C24—C25—C26 | 120.56 (11) |
H12A—C12—H12B | 109.5 | C24—C25—H25 | 119.7 |
C3—C12—H12C | 109.5 | C26—C25—H25 | 119.7 |
H12A—C12—H12C | 109.5 | C27—C26—C25 | 120.70 (11) |
H12B—C12—H12C | 109.5 | C27—C26—H26 | 119.6 |
C5—C13—C21 | 110.34 (9) | C25—C26—H26 | 119.6 |
C5—C13—C14 | 110.96 (9) | C26—C27—C22 | 118.05 (11) |
C21—C13—C14 | 113.70 (9) | C26—C27—C21 | 121.96 (10) |
C5—C13—H13 | 107.2 | C22—C27—C21 | 119.91 (10) |
C21—C13—H13 | 107.2 | ||
C5—O1—N1—C1 | 0.42 (11) | C6—C7—C8—C9 | −0.07 (16) |
O1—N1—C1—C4 | −0.08 (11) | C7—C8—C9—C10 | −0.54 (16) |
O1—N1—C1—C2 | −178.31 (9) | C8—C9—C10—C11 | 0.47 (16) |
N1—C1—C2—O2 | −4.53 (17) | C7—C6—C11—C10 | −0.83 (16) |
C4—C1—C2—O2 | 177.38 (10) | N2—C6—C11—C10 | −175.73 (9) |
N1—C1—C2—N2 | 174.91 (10) | C9—C10—C11—C6 | 0.20 (16) |
C4—C1—C2—N2 | −3.18 (13) | O1—C5—C13—C21 | −53.31 (12) |
O2—C2—N2—N3 | −172.66 (9) | C4—C5—C13—C21 | 125.98 (13) |
C1—C2—N2—N3 | 7.88 (14) | O1—C5—C13—C14 | 73.63 (11) |
O2—C2—N2—C6 | 7.42 (15) | C4—C5—C13—C14 | −107.07 (14) |
C1—C2—N2—C6 | −172.03 (8) | C5—C13—C14—C15 | 71.49 (11) |
C2—N2—N3—C3 | −6.84 (15) | C21—C13—C14—C15 | −163.44 (9) |
C6—N2—N3—C3 | 173.09 (9) | C13—C14—C15—C20 | 86.05 (12) |
N2—N3—C3—C4 | 0.28 (14) | C13—C14—C15—C16 | −88.63 (12) |
N2—N3—C3—C12 | −179.32 (9) | C20—C15—C16—C17 | −0.22 (15) |
N1—C1—C4—C5 | −0.26 (12) | C14—C15—C16—C17 | 174.54 (10) |
C2—C1—C4—C5 | 178.03 (9) | C15—C16—C17—C18 | −0.90 (16) |
N1—C1—C4—C3 | 179.63 (9) | C16—C17—C18—C19 | 1.23 (16) |
C2—C1—C4—C3 | −2.08 (15) | C17—C18—C19—C20 | −0.44 (16) |
N3—C3—C4—C5 | −176.42 (11) | C18—C19—C20—C15 | −0.69 (16) |
C12—C3—C4—C5 | 3.15 (19) | C16—C15—C20—C19 | 1.01 (15) |
N3—C3—C4—C1 | 3.73 (15) | C14—C15—C20—C19 | −173.84 (10) |
C12—C3—C4—C1 | −176.70 (10) | C5—C13—C21—C27 | −59.69 (12) |
N1—O1—C5—C4 | −0.60 (11) | C14—C13—C21—C27 | 174.90 (9) |
N1—O1—C5—C13 | 178.88 (8) | C27—C22—C23—C24 | 1.06 (17) |
C1—C4—C5—O1 | 0.51 (11) | C22—C23—C24—C25 | −0.34 (17) |
C3—C4—C5—O1 | −179.35 (11) | C23—C24—C25—C26 | −0.50 (17) |
C1—C4—C5—C13 | −178.82 (11) | C24—C25—C26—C27 | 0.65 (17) |
C3—C4—C5—C13 | 1.3 (2) | C25—C26—C27—C22 | 0.05 (16) |
C2—N2—C6—C7 | 56.43 (13) | C25—C26—C27—C21 | −176.67 (10) |
N3—N2—C6—C7 | −123.50 (10) | C23—C22—C27—C26 | −0.90 (16) |
C2—N2—C6—C11 | −128.58 (10) | C23—C22—C27—C21 | 175.88 (10) |
N3—N2—C6—C11 | 51.49 (12) | C13—C21—C27—C26 | 103.38 (12) |
C11—C6—C7—C8 | 0.76 (16) | C13—C21—C27—C22 | −73.27 (12) |
N2—C6—C7—C8 | 175.67 (9) |