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. 2013 Mar 23;69(Pt 4):o573. doi: 10.1107/S1600536813007253
O1—C9 1.513 (3) C3—H3A 0.9700
O1—C13 1.352 (3) C3—H3B 0.9700
O2—C13 1.205 (3) C4—H4A 0.9700
O3—C27 1.463 (4) C4—H4B 0.9700
O3—C31 1.333 (5) C6—H6 0.9800
O4—C31 1.191 (6) C7—H7 0.9800
C1—C2 1.536 (5) C8—H8A 0.9600
C2—C3 1.524 (4) C8—H8B 0.9600
C2—C7 1.554 (4) C8—H8C 0.9600
C3—C4 1.524 (5) C11—H11A 0.9700
C4—C5 1.524 (4) C11—H11B 0.9700
C5—C6 1.537 (4) C12—H12A 0.9700
C5—C12 1.548 (4) C12—H12B 0.9700
C5—C13 1.512 (4) C14—H14A 0.9600
C6—C7 1.531 (4) C14—H14B 0.9600
C6—C9 1.560 (3) C14—H14C 0.9600
C7—C8 1.525 (4) C16—H16 0.9800
C9—C10 1.558 (3) C17—H17 0.9300
C9—C18 1.491 (3) C18—H18 0.9300
C10—C11 1.541 (3) C19—H19A 0.9600
C10—C14 1.543 (4) C19—H19B 0.9600
C10—C15 1.595 (3) C19—H19C 0.9600
C11—C12 1.534 (4) C20—H20A 0.9700
C15—C16 1.559 (3) C20—H20B 0.9700
C15—C19 1.548 (3) C21—H21A 0.9700
C15—C20 1.544 (4) C21—H21B 0.9700
C16—C17 1.507 (4) C22—H22 0.9800
C16—C23 1.563 (4) C24—H24A 0.9600
C17—C18 1.322 (4) C24—H24B 0.9600
C20—C21 1.531 (4) C24—H24C 0.9600
C21—C22 1.528 (4) C25—H25A 0.9700
C22—C23 1.565 (4) C25—H25B 0.9700
C22—C28 1.567 (4) C26—H26A 0.9700
C23—C24 1.549 (4) C26—H26B 0.9700
C23—C25 1.541 (4) C27—H27 0.9800
C25—C26 1.536 (4) C29—H29A 0.9600
C26—C27 1.508 (5) C29—H29B 0.9600
C27—C28 1.530 (5) C29—H29C 0.9600
C28—C29 1.535 (5) C30—H30A 0.9600
C28—C30 1.545 (5) C30—H30B 0.9600
C31—C32 1.503 (5) C30—H30C 0.9600
C1—H1A 0.9600 C32—H32A 0.9600
C1—H1B 0.9600 C32—H32B 0.9600
C1—H1C 0.9600 C32—H32C 0.9600
C2—H2 0.9800
C9—O1—C13 109.9 (2) C5—C6—H6 104.00
C27—O3—C31 118.0 (3) C7—C6—H6 104.00
C1—C2—C3 109.8 (3) C9—C6—H6 104.00
C1—C2—C7 111.9 (3) C2—C7—H7 109.00
C3—C2—C7 111.7 (2) C6—C7—H7 109.00
C2—C3—C4 113.6 (3) C8—C7—H7 109.00
C3—C4—C5 110.4 (2) C7—C8—H8A 109.00
C4—C5—C6 111.9 (2) C7—C8—H8B 110.00
C4—C5—C12 113.4 (2) C7—C8—H8C 109.00
C4—C5—C13 114.5 (2) H8A—C8—H8B 109.00
C6—C5—C12 110.7 (2) H8A—C8—H8C 109.00
C6—C5—C13 99.5 (2) H8B—C8—H8C 110.00
C12—C5—C13 105.9 (2) C10—C11—H11A 109.00
C5—C6—C7 114.4 (2) C10—C11—H11B 109.00
C5—C6—C9 99.4 (2) C12—C11—H11A 109.00
C7—C6—C9 127.5 (2) C12—C11—H11B 109.00
C2—C7—C6 107.2 (2) H11A—C11—H11B 108.00
C2—C7—C8 111.9 (2) C5—C12—H12A 109.00
C6—C7—C8 111.8 (2) C5—C12—H12B 109.00
O1—C9—C6 97.34 (18) C11—C12—H12A 109.00
O1—C9—C10 107.66 (19) C11—C12—H12B 109.00
O1—C9—C18 105.9 (2) H12A—C12—H12B 108.00
C6—C9—C10 115.8 (2) C10—C14—H14A 109.00
C6—C9—C18 115.9 (2) C10—C14—H14B 110.00
C10—C9—C18 112.3 (2) C10—C14—H14C 109.00
C9—C10—C11 108.7 (2) H14A—C14—H14B 109.00
C9—C10—C14 109.2 (2) H14A—C14—H14C 109.00
C9—C10—C15 109.1 (2) H14B—C14—H14C 109.00
C11—C10—C14 107.0 (2) C15—C16—H16 104.00
C11—C10—C15 112.7 (2) C17—C16—H16 104.00
C14—C10—C15 110.1 (2) C23—C16—H16 104.00
C10—C11—C12 113.0 (2) C16—C17—H17 118.00
C5—C12—C11 112.5 (2) C18—C17—H17 118.00
O1—C13—O2 121.4 (3) C9—C18—H18 118.00
O1—C13—C5 109.0 (2) C17—C18—H18 118.00
O2—C13—C5 129.6 (3) C15—C19—H19A 109.00
C10—C15—C16 106.72 (19) C15—C19—H19B 109.00
C10—C15—C19 111.6 (2) C15—C19—H19C 110.00
C10—C15—C20 111.6 (2) H19A—C19—H19B 109.00
C16—C15—C19 111.2 (2) H19A—C19—H19C 110.00
C16—C15—C20 109.0 (2) H19B—C19—H19C 109.00
C19—C15—C20 106.7 (2) C15—C20—H20A 109.00
C15—C16—C17 109.3 (2) C15—C20—H20B 109.00
C15—C16—C23 117.36 (19) C21—C20—H20A 109.00
C17—C16—C23 115.8 (2) C21—C20—H20B 109.00
C16—C17—C18 124.6 (2) H20A—C20—H20B 108.00
C9—C18—C17 124.0 (2) C20—C21—H21A 109.00
C15—C20—C21 113.1 (2) C20—C21—H21B 109.00
C20—C21—C22 111.6 (2) C22—C21—H21A 109.00
C21—C22—C23 111.0 (2) C22—C21—H21B 109.00
C21—C22—C28 114.2 (2) H21A—C21—H21B 108.00
C23—C22—C28 117.5 (2) C21—C22—H22 104.00
C16—C23—C22 105.7 (2) C23—C22—H22 104.00
C16—C23—C24 112.3 (2) C28—C22—H22 104.00
C16—C23—C25 108.0 (2) C23—C24—H24A 109.00
C22—C23—C24 115.5 (2) C23—C24—H24B 109.00
C22—C23—C25 107.6 (2) C23—C24—H24C 109.00
C24—C23—C25 107.5 (2) H24A—C24—H24B 109.00
C23—C25—C26 112.6 (2) H24A—C24—H24C 110.00
C25—C26—C27 110.7 (3) H24B—C24—H24C 109.00
O3—C27—C26 108.4 (3) C23—C25—H25A 109.00
O3—C27—C28 109.1 (3) C23—C25—H25B 109.00
C26—C27—C28 115.0 (3) C26—C25—H25A 109.00
C22—C28—C27 105.7 (2) C26—C25—H25B 109.00
C22—C28—C29 114.1 (3) H25A—C25—H25B 108.00
C22—C28—C30 108.7 (2) C25—C26—H26A 110.00
C27—C28—C29 111.8 (3) C25—C26—H26B 110.00
C27—C28—C30 107.9 (3) C27—C26—H26A 110.00
C29—C28—C30 108.5 (3) C27—C26—H26B 110.00
O3—C31—O4 123.7 (3) H26A—C26—H26B 108.00
O3—C31—C32 111.1 (4) O3—C27—H27 108.00
O4—C31—C32 125.1 (4) C26—C27—H27 108.00
C2—C1—H1A 109.00 C28—C27—H27 108.00
C2—C1—H1B 109.00 C28—C29—H29A 109.00
C2—C1—H1C 109.00 C28—C29—H29B 110.00
H1A—C1—H1B 109.00 C28—C29—H29C 109.00
H1A—C1—H1C 109.00 H29A—C29—H29B 109.00
H1B—C1—H1C 110.00 H29A—C29—H29C 109.00
C1—C2—H2 108.00 H29B—C29—H29C 110.00
C3—C2—H2 108.00 C28—C30—H30A 109.00
C7—C2—H2 108.00 C28—C30—H30B 109.00
C2—C3—H3A 109.00 C28—C30—H30C 109.00
C2—C3—H3B 109.00 H30A—C30—H30B 109.00
C4—C3—H3A 109.00 H30A—C30—H30C 109.00
C4—C3—H3B 109.00 H30B—C30—H30C 110.00
H3A—C3—H3B 108.00 C31—C32—H32A 109.00
C3—C4—H4A 110.00 C31—C32—H32B 110.00
C3—C4—H4B 110.00 C31—C32—H32C 109.00
C5—C4—H4A 110.00 H32A—C32—H32B 109.00
C5—C4—H4B 110.00 H32A—C32—H32C 109.00
H4A—C4—H4B 108.00 H32B—C32—H32C 109.00
C13—O1—C9—C6 −32.6 (2) C14—C10—C11—C12 74.0 (3)
C13—O1—C9—C10 87.5 (2) C15—C10—C11—C12 −164.9 (2)
C13—O1—C9—C18 −152.2 (2) C9—C10—C15—C16 65.3 (2)
C9—O1—C13—O2 −174.0 (2) C9—C10—C15—C19 −56.4 (3)
C9—O1—C13—C5 4.4 (3) C9—C10—C15—C20 −175.7 (2)
C31—O3—C27—C26 97.1 (4) C11—C10—C15—C16 −174.0 (2)
C31—O3—C27—C28 −136.9 (3) C11—C10—C15—C19 64.3 (3)
C27—O3—C31—O4 6.1 (6) C11—C10—C15—C20 −55.0 (3)
C27—O3—C31—C32 −174.5 (3) C14—C10—C15—C16 −54.5 (2)
C1—C2—C3—C4 178.3 (2) C14—C10—C15—C19 −176.2 (2)
C7—C2—C3—C4 −57.0 (3) C14—C10—C15—C20 64.5 (3)
C1—C2—C7—C6 179.0 (2) C10—C11—C12—C5 48.1 (3)
C1—C2—C7—C8 −58.1 (3) C10—C15—C16—C17 −54.2 (3)
C3—C2—C7—C6 55.5 (3) C10—C15—C16—C23 171.3 (2)
C3—C2—C7—C8 178.4 (3) C19—C15—C16—C17 67.8 (3)
C2—C3—C4—C5 53.2 (3) C19—C15—C16—C23 −66.7 (3)
C3—C4—C5—C6 −50.6 (3) C20—C15—C16—C17 −174.9 (2)
C3—C4—C5—C12 75.5 (3) C20—C15—C16—C23 50.6 (3)
C3—C4—C5—C13 −162.9 (2) C10—C15—C20—C21 −166.3 (2)
C4—C5—C6—C7 54.9 (3) C16—C15—C20—C21 −48.6 (3)
C4—C5—C6—C9 −166.2 (2) C19—C15—C20—C21 71.5 (3)
C12—C5—C6—C7 −72.7 (3) C15—C16—C17—C18 24.5 (4)
C12—C5—C6—C9 66.2 (3) C23—C16—C17—C18 159.8 (3)
C13—C5—C6—C7 176.2 (2) C15—C16—C23—C22 −54.8 (3)
C13—C5—C6—C9 −44.9 (2) C15—C16—C23—C24 72.0 (3)
C4—C5—C12—C11 170.9 (2) C15—C16—C23—C25 −169.7 (2)
C6—C5—C12—C11 −62.3 (3) C17—C16—C23—C22 173.7 (2)
C13—C5—C12—C11 44.6 (3) C17—C16—C23—C24 −59.6 (3)
C4—C5—C13—O1 145.8 (2) C17—C16—C23—C25 58.7 (3)
C4—C5—C13—O2 −36.0 (4) C16—C17—C18—C9 −1.6 (5)
C6—C5—C13—O1 26.3 (3) C15—C20—C21—C22 56.5 (3)
C6—C5—C13—O2 −155.5 (3) C20—C21—C22—C23 −61.7 (3)
C12—C5—C13—O1 −88.5 (2) C20—C21—C22—C28 162.7 (2)
C12—C5—C13—O2 89.7 (3) C21—C22—C23—C16 57.9 (3)
C5—C6—C7—C2 −55.5 (3) C21—C22—C23—C24 −66.9 (3)
C5—C6—C7—C8 −178.5 (2) C21—C22—C23—C25 173.1 (2)
C9—C6—C7—C2 179.4 (2) C28—C22—C23—C16 −168.1 (2)
C9—C6—C7—C8 56.4 (3) C28—C22—C23—C24 67.1 (3)
C5—C6—C9—O1 46.7 (2) C28—C22—C23—C25 −52.9 (3)
C5—C6—C9—C10 −67.0 (3) C21—C22—C28—C27 −175.0 (3)
C5—C6—C9—C18 158.3 (2) C21—C22—C28—C29 61.8 (3)
C7—C6—C9—O1 177.7 (2) C21—C22—C28—C30 −59.4 (4)
C7—C6—C9—C10 64.0 (3) C23—C22—C28—C27 52.4 (3)
C7—C6—C9—C18 −70.7 (3) C23—C22—C28—C29 −70.8 (3)
O1—C9—C10—C11 −50.0 (3) C23—C22—C28—C30 168.0 (3)
O1—C9—C10—C14 −166.42 (19) C16—C23—C25—C26 166.3 (3)
O1—C9—C10—C15 73.2 (2) C22—C23—C25—C26 52.6 (3)
C6—C9—C10—C11 57.6 (3) C24—C23—C25—C26 −72.4 (3)
C6—C9—C10—C14 −58.8 (3) C23—C25—C26—C27 −57.1 (4)
C6—C9—C10—C15 −179.2 (2) C25—C26—C27—O3 −178.5 (3)
C18—C9—C10—C11 −166.2 (2) C25—C26—C27—C28 59.0 (4)
C18—C9—C10—C14 77.4 (3) O3—C27—C28—C22 −176.2 (2)
C18—C9—C10—C15 −42.9 (3) O3—C27—C28—C29 −51.5 (3)
O1—C9—C18—C17 −105.8 (3) O3—C27—C28—C30 67.7 (3)
C6—C9—C18—C17 147.6 (3) C26—C27—C28—C22 −54.1 (3)
C10—C9—C18—C17 11.5 (4) C26—C27—C28—C29 70.5 (3)
C9—C10—C11—C12 −43.9 (3) C26—C27—C28—C30 −170.2 (3)