O1—C3 | 1.436 (3) | C18—H18A | 0.9600 |
O2—C11 | 1.447 (4) | C19—H19 | 0.9300 |
O2—C17 | 1.440 (4) | C20—H20A | 0.9300 |
O1—H1O | 0.80 (4) | C20—H20B | 0.9300 |
C1—C6 | 1.555 (3) | C21—C26 | 1.562 (3) |
C1—C12 | 1.564 (4) | C21—C32 | 1.559 (3) |
C1—C2 | 1.534 (4) | C21—C22 | 1.532 (3) |
C1—C13 | 1.546 (4) | C21—C33 | 1.537 (4) |
C2—C3 | 1.520 (4) | C22—C23 | 1.515 (4) |
C3—C4 | 1.511 (4) | C23—C24 | 1.520 (4) |
O3—C23 | 1.437 (3) | C24—C25 | 1.525 (4) |
C4—C5 | 1.533 (4) | C25—C27 | 1.538 (4) |
O4—C37 | 1.443 (4) | C25—C28 | 1.541 (5) |
O4—C31 | 1.455 (3) | C25—C26 | 1.551 (4) |
C5—C7 | 1.541 (5) | C26—C29 | 1.526 (4) |
C5—C6 | 1.549 (4) | C29—C30 | 1.527 (4) |
C5—C8 | 1.534 (4) | C30—C31 | 1.522 (4) |
C6—C9 | 1.529 (4) | C31—C32 | 1.532 (4) |
C9—C10 | 1.524 (4) | C31—C34 | 1.532 (4) |
C10—C11 | 1.520 (4) | C32—C35 | 1.528 (4) |
C11—C12 | 1.540 (4) | C35—C36 | 1.519 (4) |
C11—C14 | 1.530 (4) | C36—C37 | 1.528 (5) |
C12—C15 | 1.522 (4) | C37—C39 | 1.505 (5) |
C15—C16 | 1.513 (4) | C37—C38 | 1.518 (5) |
C16—C17 | 1.530 (5) | C39—C40 | 1.305 (7) |
C17—C19 | 1.511 (6) | C22—H22A | 0.9700 |
C17—C18 | 1.532 (6) | C22—H22B | 0.9700 |
C19—C20 | 1.293 (8) | C23—H23 | 0.9800 |
C2—H2A | 0.9700 | C24—H24A | 0.9700 |
C2—H2B | 0.9700 | C24—H24B | 0.9700 |
O3—H3O | 0.81 (4) | C26—H26 | 0.9800 |
C3—H3 | 0.9800 | C27—H27A | 0.9600 |
C4—H4B | 0.9700 | C27—H27B | 0.9600 |
C4—H4A | 0.9700 | C27—H27C | 0.9600 |
C6—H6 | 0.9800 | C28—H28A | 0.9600 |
C7—H7B | 0.9600 | C28—H28B | 0.9600 |
C7—H7A | 0.9600 | C28—H28C | 0.9600 |
C7—H7C | 0.9600 | C29—H29A | 0.9700 |
C8—H8B | 0.9600 | C29—H29B | 0.9700 |
C8—H8A | 0.9600 | C30—H30A | 0.9700 |
C8—H8C | 0.9600 | C30—H30B | 0.9700 |
C9—H9B | 0.9700 | C32—H32 | 0.9800 |
C9—H9A | 0.9700 | C33—H33A | 0.9600 |
C10—H10B | 0.9700 | C33—H33B | 0.9600 |
C10—H10A | 0.9700 | C33—H33C | 0.9600 |
C12—H12 | 0.9800 | C34—H34A | 0.9600 |
C13—H13C | 0.9600 | C34—H34B | 0.9600 |
C13—H13A | 0.9600 | C34—H34C | 0.9600 |
C13—H13B | 0.9600 | C35—H35A | 0.9700 |
C14—H14C | 0.9600 | C35—H35B | 0.9700 |
C14—H14A | 0.9600 | C36—H36A | 0.9700 |
C14—H14B | 0.9600 | C36—H36B | 0.9700 |
C15—H15A | 0.9700 | C38—H38A | 0.9600 |
C15—H15B | 0.9700 | C38—H38B | 0.9600 |
C16—H16A | 0.9700 | C38—H38C | 0.9600 |
C16—H16B | 0.9700 | C39—H39 | 0.9300 |
C18—H18C | 0.9600 | C40—H40A | 0.9300 |
C18—H18B | 0.9600 | C40—H40B | 0.9300 |
C11—O2—C17 | 119.5 (2) | H20A—C20—H20B | 120.00 |
C3—O1—H1O | 110 (3) | C19—C20—H20A | 120.00 |
C2—C1—C6 | 107.9 (2) | C22—C21—C26 | 107.7 (2) |
C2—C1—C12 | 108.0 (2) | C22—C21—C32 | 108.10 (19) |
C6—C1—C12 | 106.05 (19) | C26—C21—C32 | 105.98 (19) |
C6—C1—C13 | 114.7 (2) | C26—C21—C33 | 114.4 (2) |
C12—C1—C13 | 111.6 (2) | C32—C21—C33 | 111.7 (2) |
C2—C1—C13 | 108.3 (2) | C22—C21—C33 | 108.8 (2) |
C1—C2—C3 | 114.6 (2) | C21—C22—C23 | 114.9 (2) |
O1—C3—C2 | 110.0 (2) | O3—C23—C22 | 109.8 (2) |
O1—C3—C4 | 111.5 (2) | O3—C23—C24 | 111.2 (2) |
C2—C3—C4 | 111.4 (2) | C22—C23—C24 | 111.9 (2) |
C3—C4—C5 | 114.8 (2) | C23—C24—C25 | 114.9 (2) |
C31—O4—C37 | 119.1 (2) | C24—C25—C27 | 110.9 (2) |
C4—C5—C7 | 106.7 (2) | C24—C25—C28 | 106.9 (3) |
C4—C5—C8 | 110.7 (2) | C26—C25—C27 | 114.7 (2) |
C6—C5—C8 | 114.9 (2) | C26—C25—C28 | 108.9 (2) |
C7—C5—C8 | 107.5 (2) | C27—C25—C28 | 107.3 (3) |
C4—C5—C6 | 107.9 (2) | C24—C25—C26 | 107.9 (2) |
C6—C5—C7 | 108.8 (2) | C21—C26—C25 | 116.3 (2) |
C1—C6—C5 | 116.4 (2) | C25—C26—C29 | 115.4 (2) |
C5—C6—C9 | 115.3 (2) | C21—C26—C29 | 111.2 (2) |
C1—C6—C9 | 111.3 (2) | C26—C29—C30 | 110.6 (2) |
C6—C9—C10 | 110.8 (2) | C29—C30—C31 | 112.2 (2) |
C9—C10—C11 | 112.6 (2) | O4—C31—C32 | 107.8 (2) |
O2—C11—C12 | 108.1 (2) | O4—C31—C34 | 109.6 (2) |
O2—C11—C14 | 109.3 (2) | O4—C31—C30 | 103.9 (2) |
C10—C11—C14 | 109.5 (2) | C30—C31—C34 | 109.0 (2) |
C12—C11—C14 | 116.4 (2) | C32—C31—C34 | 116.8 (2) |
O2—C11—C10 | 103.9 (2) | C30—C31—C32 | 109.2 (2) |
C10—C11—C12 | 108.9 (2) | C21—C32—C31 | 116.2 (2) |
C1—C12—C11 | 115.6 (2) | C21—C32—C35 | 116.4 (2) |
C1—C12—C15 | 117.3 (2) | C31—C32—C35 | 109.7 (2) |
C11—C12—C15 | 109.5 (2) | C32—C35—C36 | 108.5 (2) |
C12—C15—C16 | 108.8 (3) | C35—C36—C37 | 113.8 (3) |
C15—C16—C17 | 113.2 (3) | O4—C37—C38 | 103.8 (3) |
O2—C17—C19 | 110.7 (3) | O4—C37—C39 | 110.1 (3) |
C16—C17—C18 | 110.5 (3) | C36—C37—C38 | 110.2 (3) |
O2—C17—C18 | 103.5 (3) | C36—C37—C39 | 114.1 (3) |
C18—C17—C19 | 107.4 (3) | C38—C37—C39 | 107.4 (3) |
C16—C17—C19 | 113.6 (4) | O4—C37—C36 | 110.5 (2) |
O2—C17—C16 | 110.7 (3) | C37—C39—C40 | 128.2 (4) |
C17—C19—C20 | 128.0 (4) | C21—C22—H22A | 109.00 |
C1—C2—H2A | 109.00 | C21—C22—H22B | 109.00 |
C3—C2—H2A | 109.00 | C23—C22—H22A | 108.00 |
C3—C2—H2B | 109.00 | C23—C22—H22B | 108.00 |
C1—C2—H2B | 108.00 | H22A—C22—H22B | 108.00 |
H2A—C2—H2B | 108.00 | O3—C23—H23 | 108.00 |
C2—C3—H3 | 108.00 | C22—C23—H23 | 108.00 |
C4—C3—H3 | 108.00 | C24—C23—H23 | 108.00 |
O1—C3—H3 | 108.00 | C23—C24—H24A | 109.00 |
C23—O3—H3O | 108 (3) | C23—C24—H24B | 109.00 |
C3—C4—H4B | 109.00 | C25—C24—H24A | 109.00 |
C5—C4—H4A | 109.00 | C25—C24—H24B | 109.00 |
H4A—C4—H4B | 108.00 | H24A—C24—H24B | 108.00 |
C5—C4—H4B | 109.00 | C21—C26—H26 | 104.00 |
C3—C4—H4A | 109.00 | C25—C26—H26 | 104.00 |
C9—C6—H6 | 104.00 | C29—C26—H26 | 104.00 |
C1—C6—H6 | 104.00 | C25—C27—H27A | 109.00 |
C5—C6—H6 | 104.00 | C25—C27—H27B | 109.00 |
C5—C7—H7B | 109.00 | C25—C27—H27C | 109.00 |
C5—C7—H7A | 109.00 | H27A—C27—H27B | 109.00 |
H7A—C7—H7C | 109.00 | H27A—C27—H27C | 110.00 |
C5—C7—H7C | 109.00 | H27B—C27—H27C | 110.00 |
H7A—C7—H7B | 109.00 | C25—C28—H28A | 110.00 |
H7B—C7—H7C | 110.00 | C25—C28—H28B | 109.00 |
C5—C8—H8B | 109.00 | C25—C28—H28C | 109.00 |
C5—C8—H8C | 109.00 | H28A—C28—H28B | 109.00 |
H8A—C8—H8C | 109.00 | H28A—C28—H28C | 110.00 |
H8B—C8—H8C | 110.00 | H28B—C28—H28C | 109.00 |
H8A—C8—H8B | 109.00 | C26—C29—H29A | 110.00 |
C5—C8—H8A | 109.00 | C26—C29—H29B | 110.00 |
C6—C9—H9B | 109.00 | C30—C29—H29A | 110.00 |
C10—C9—H9B | 109.00 | C30—C29—H29B | 110.00 |
H9A—C9—H9B | 108.00 | H29A—C29—H29B | 108.00 |
C6—C9—H9A | 110.00 | C29—C30—H30A | 109.00 |
C10—C9—H9A | 109.00 | C29—C30—H30B | 109.00 |
C11—C10—H10A | 109.00 | C31—C30—H30A | 109.00 |
C9—C10—H10A | 109.00 | C31—C30—H30B | 109.00 |
C9—C10—H10B | 109.00 | H30A—C30—H30B | 108.00 |
H10A—C10—H10B | 108.00 | C21—C32—H32 | 104.00 |
C11—C10—H10B | 109.00 | C31—C32—H32 | 104.00 |
C11—C12—H12 | 104.00 | C35—C32—H32 | 104.00 |
C1—C12—H12 | 104.00 | C21—C33—H33A | 109.00 |
C15—C12—H12 | 104.00 | C21—C33—H33B | 110.00 |
C1—C13—H13A | 109.00 | C21—C33—H33C | 109.00 |
H13A—C13—H13B | 109.00 | H33A—C33—H33B | 109.00 |
C1—C13—H13B | 110.00 | H33A—C33—H33C | 110.00 |
H13B—C13—H13C | 110.00 | H33B—C33—H33C | 109.00 |
C1—C13—H13C | 109.00 | C31—C34—H34A | 110.00 |
H13A—C13—H13C | 109.00 | C31—C34—H34B | 109.00 |
C11—C14—H14B | 110.00 | C31—C34—H34C | 109.00 |
C11—C14—H14A | 109.00 | H34A—C34—H34B | 109.00 |
H14A—C14—H14C | 109.00 | H34A—C34—H34C | 109.00 |
C11—C14—H14C | 110.00 | H34B—C34—H34C | 110.00 |
H14A—C14—H14B | 109.00 | C32—C35—H35A | 110.00 |
H14B—C14—H14C | 109.00 | C32—C35—H35B | 110.00 |
C12—C15—H15B | 110.00 | C36—C35—H35A | 110.00 |
C16—C15—H15A | 110.00 | C36—C35—H35B | 110.00 |
H15A—C15—H15B | 108.00 | H35A—C35—H35B | 108.00 |
C16—C15—H15B | 110.00 | C35—C36—H36A | 109.00 |
C12—C15—H15A | 110.00 | C35—C36—H36B | 109.00 |
C15—C16—H16A | 109.00 | C37—C36—H36A | 109.00 |
C17—C16—H16A | 109.00 | C37—C36—H36B | 109.00 |
C17—C16—H16B | 109.00 | H36A—C36—H36B | 108.00 |
H16A—C16—H16B | 108.00 | C37—C38—H38A | 110.00 |
C15—C16—H16B | 109.00 | C37—C38—H38B | 109.00 |
C17—C18—H18C | 109.00 | C37—C38—H38C | 109.00 |
C17—C18—H18A | 109.00 | H38A—C38—H38B | 109.00 |
C17—C18—H18B | 109.00 | H38A—C38—H38C | 109.00 |
H18B—C18—H18C | 109.00 | H38B—C38—H38C | 110.00 |
H18A—C18—H18B | 110.00 | C37—C39—H39 | 116.00 |
H18A—C18—H18C | 110.00 | C40—C39—H39 | 116.00 |
C20—C19—H19 | 116.00 | C39—C40—H40A | 120.00 |
C17—C19—H19 | 116.00 | C39—C40—H40B | 120.00 |
C19—C20—H20B | 120.00 | H40A—C40—H40B | 120.00 |
C17—O2—C11—C10 | −169.9 (2) | C15—C16—C17—C19 | 78.7 (4) |
C17—O2—C11—C12 | −54.3 (3) | C15—C16—C17—C18 | −160.6 (3) |
C17—O2—C11—C14 | 73.2 (3) | C15—C16—C17—O2 | −46.6 (4) |
C11—O2—C17—C19 | −78.7 (4) | C18—C17—C19—C20 | −102.8 (5) |
C11—O2—C17—C16 | 48.2 (4) | O2—C17—C19—C20 | 145.0 (4) |
C11—O2—C17—C18 | 166.6 (3) | C16—C17—C19—C20 | 19.7 (5) |
C12—C1—C2—C3 | −165.9 (2) | C32—C21—C22—C23 | −165.4 (2) |
C13—C1—C6—C5 | −68.4 (3) | C33—C21—C26—C25 | −68.0 (3) |
C13—C1—C2—C3 | 73.1 (3) | C33—C21—C22—C23 | 73.2 (3) |
C6—C1—C2—C3 | −51.7 (3) | C26—C21—C22—C23 | −51.3 (3) |
C2—C1—C12—C15 | −57.2 (3) | C22—C21—C32—C35 | −58.3 (3) |
C13—C1—C6—C9 | 66.6 (3) | C33—C21—C26—C29 | 66.8 (3) |
C2—C1—C12—C11 | 171.2 (2) | C22—C21—C32—C31 | 170.2 (2) |
C12—C1—C6—C9 | −57.1 (3) | C32—C21—C26—C29 | −56.7 (3) |
C13—C1—C12—C15 | 61.8 (3) | C33—C21—C32—C35 | 61.3 (3) |
C6—C1—C12—C11 | 55.8 (3) | C26—C21—C32—C31 | 55.0 (3) |
C6—C1—C12—C15 | −172.6 (2) | C26—C21—C32—C35 | −173.5 (2) |
C13—C1—C12—C11 | −69.8 (3) | C33—C21—C32—C31 | −70.2 (3) |
C12—C1—C6—C5 | 168.0 (2) | C32—C21—C26—C25 | 168.5 (2) |
C2—C1—C6—C9 | −172.6 (2) | C22—C21—C26—C29 | −172.2 (2) |
C2—C1—C6—C5 | 52.5 (3) | C22—C21—C26—C25 | 53.0 (3) |
C1—C2—C3—C4 | 53.9 (3) | C21—C22—C23—C24 | 52.8 (3) |
C1—C2—C3—O1 | 178.0 (2) | C21—C22—C23—O3 | 176.9 (2) |
O1—C3—C4—C5 | −177.3 (2) | O3—C23—C24—C25 | −176.2 (2) |
C2—C3—C4—C5 | −54.1 (3) | C22—C23—C24—C25 | −53.0 (3) |
C3—C4—C5—C8 | −74.5 (3) | C23—C24—C25—C28 | 168.7 (3) |
C3—C4—C5—C7 | 168.9 (2) | C23—C24—C25—C27 | −74.6 (3) |
C3—C4—C5—C6 | 52.1 (3) | C23—C24—C25—C26 | 51.8 (3) |
C37—O4—C31—C32 | −55.5 (3) | C27—C25—C26—C21 | 70.9 (3) |
C37—O4—C31—C30 | −171.2 (2) | C27—C25—C26—C29 | −62.1 (3) |
C37—O4—C31—C34 | 72.5 (3) | C24—C25—C26—C29 | 173.8 (2) |
C31—O4—C37—C38 | 166.7 (3) | C28—C25—C26—C29 | 58.2 (3) |
C31—O4—C37—C39 | −78.5 (3) | C28—C25—C26—C21 | −168.9 (3) |
C31—O4—C37—C36 | 48.5 (3) | C24—C25—C26—C21 | −53.3 (3) |
C7—C5—C6—C1 | −167.9 (2) | C25—C26—C29—C30 | −164.0 (2) |
C7—C5—C6—C9 | 58.9 (3) | C21—C26—C29—C30 | 60.8 (3) |
C4—C5—C6—C9 | 174.3 (2) | C26—C29—C30—C31 | −58.3 (3) |
C8—C5—C6—C1 | 71.5 (3) | C29—C30—C31—C32 | 53.0 (3) |
C8—C5—C6—C9 | −61.6 (3) | C29—C30—C31—C34 | −75.5 (3) |
C4—C5—C6—C1 | −52.5 (3) | C29—C30—C31—O4 | 167.8 (2) |
C5—C6—C9—C10 | −164.3 (2) | O4—C31—C32—C35 | 59.4 (3) |
C1—C6—C9—C10 | 60.3 (3) | C34—C31—C32—C21 | 70.2 (3) |
C6—C9—C10—C11 | −57.8 (3) | C30—C31—C32—C21 | −53.9 (3) |
C9—C10—C11—C14 | −75.3 (3) | C30—C31—C32—C35 | 171.6 (2) |
C9—C10—C11—C12 | 53.1 (3) | O4—C31—C32—C21 | −166.0 (2) |
C9—C10—C11—O2 | 168.1 (2) | C34—C31—C32—C35 | −64.4 (3) |
C10—C11—C12—C1 | −54.3 (3) | C31—C32—C35—C36 | −60.3 (3) |
C10—C11—C12—C15 | 170.6 (2) | C21—C32—C35—C36 | 165.2 (2) |
O2—C11—C12—C15 | 58.3 (3) | C32—C35—C36—C37 | 53.9 (3) |
C14—C11—C12—C15 | −65.0 (3) | C35—C36—C37—O4 | −46.2 (4) |
C14—C11—C12—C1 | 70.1 (3) | C35—C36—C37—C38 | −160.4 (3) |
O2—C11—C12—C1 | −166.5 (2) | C35—C36—C37—C39 | 78.6 (3) |
C11—C12—C15—C16 | −60.5 (3) | O4—C37—C39—C40 | 142.0 (4) |
C1—C12—C15—C16 | 165.3 (2) | C36—C37—C39—C40 | 17.0 (6) |
C12—C15—C16—C17 | 54.8 (4) | C38—C37—C39—C40 | −105.6 (5) |