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. 2024 Feb 20;80(Pt 3):318–324. doi: 10.1107/S2056989024001543
Si1—O1 1.7910 (9) C14—F3 1.3353 (15)
Si1—O4 1.8042 (9) C14—C15 1.3814 (19)
Si1—O3 1.8480 (9) C15—F4 1.3430 (14)
Si1—O2 1.8503 (9) C15—C16 1.3853 (17)
Si1—C11 1.9559 (12) C16—F5 1.3557 (14)
Si1—C17 1.9683 (12) C17—C18 1.3904 (18)
O1—C1' 1.3324 (14) C17—C22 1.3957 (17)
O1—N1 1.3324 (14) C18—F6 1.3543 (15)
O2—N1' 1.3244 (14) C18—C19 1.3903 (18)
O2—C1 1.3244 (14) C19—F7 1.3431 (18)
O3—C6' 1.3263 (13) C19—C20 1.377 (2)
O3—N2 1.3263 (13) C20—F8 1.3452 (17)
O4—N2' 1.3348 (13) C20—C21 1.375 (2)
O4—C6 1.3348 (13) C21—F9 1.3462 (17)
N1—C1 1.3562 (14) C21—C22 1.3874 (18)
N1—C5 1.3714 (16) C22—F10 1.3513 (16)
C1—C2 1.3686 (17) C23—C24 1.434 (10)
N2—C6 1.3487 (15) C23—H23A 0.9800
N2—C10 1.3706 (16) C23—H23B 0.9800
C6—C7 1.3740 (15) C23—H23C 0.9800
N1'—C1' 1.3562 (14) C24—C25 1.553 (8)
N1'—C2 1.3686 (17) C24—H24A 0.9900
C1'—C5 1.3714 (16) C24—H24B 0.9900
N2'—C6' 1.3487 (15) C25—C26 1.552 (10)
N2'—C7 1.3740 (15) C25—H25A 0.9900
C6'—C10 1.3706 (16) C25—H25B 0.9900
C2—C3 1.3732 (19) C26—C27 1.491 (10)
C2—H2 0.9500 C26—H26A 0.9900
C3—C4 1.4013 (19) C26—H26B 0.9900
C3—H3 0.9500 C27—H27A 0.9800
C4—C5 1.3828 (19) C27—H27B 0.9800
C4—H4 0.9500 C27—H27C 0.9800
C5—H5 0.9500 O5'—C23' 1.432 (5)
C7—C8 1.3770 (18) O5'—C26' 1.456 (10)
C7—H7 0.9500 C23'—C24' 1.498 (6)
C8—C9 1.398 (2) C23'—H23D 0.9900
C8—H8 0.9500 C23'—H23E 0.9900
C9—C10 1.3776 (19) C24'—C25' 1.482 (8)
C9—H9 0.9500 C24'—H24C 0.9900
C10—H10 0.9500 C24'—H24D 0.9900
C11—C16 1.3923 (16) C25'—C26' 1.494 (11)
C11—C12 1.3937 (16) C25'—H25C 0.9900
C12—F1 1.3545 (14) C25'—H25D 0.9900
C12—C13 1.3851 (17) C26'—H26C 0.9900
C13—F2 1.3428 (14) C26'—H26D 0.9900
C13—C14 1.3861 (19)
O1—Si1—O4 166.74 (4) C12—C13—C14 119.49 (11)
O1—Si1—O3 86.65 (4) F3—C14—C15 120.33 (12)
O4—Si1—O3 84.60 (4) F3—C14—C13 120.99 (12)
O1—Si1—O2 85.17 (4) C15—C14—C13 118.65 (11)
O4—Si1—O2 84.53 (4) F4—C15—C14 119.78 (11)
O3—Si1—O2 87.56 (4) F4—C15—C16 120.51 (11)
O1—Si1—C11 91.41 (4) C14—C15—C16 119.71 (11)
O4—Si1—C11 98.54 (4) F5—C16—C15 115.00 (10)
O3—Si1—C11 90.16 (4) F5—C16—C11 120.69 (10)
O2—Si1—C11 175.99 (5) C15—C16—C11 124.29 (11)
O1—Si1—C17 99.44 (5) C18—C17—C22 113.39 (11)
O4—Si1—C17 88.68 (4) C18—C17—Si1 122.91 (9)
O3—Si1—C17 172.66 (4) C22—C17—Si1 123.45 (9)
O2—Si1—C17 88.88 (5) F6—C18—C19 115.25 (12)
C11—Si1—C17 93.75 (5) F6—C18—C17 120.49 (11)
C1'—O1—Si1 112.84 (7) C19—C18—C17 124.25 (12)
N1—O1—Si1 112.84 (7) F7—C19—C20 119.76 (13)
N1'—O2—Si1 111.23 (7) F7—C19—C18 120.96 (14)
C1—O2—Si1 111.23 (7) C20—C19—C18 119.28 (13)
C6'—O3—Si1 110.81 (7) F8—C20—C21 120.52 (15)
N2—O3—Si1 110.81 (7) F8—C20—C19 120.04 (15)
N2'—O4—Si1 111.71 (7) C21—C20—C19 119.44 (13)
C6—O4—Si1 111.71 (7) F9—C21—C20 119.99 (13)
O1—N1—C1 114.69 (9) F9—C21—C22 120.74 (14)
O1—N1—C5 124.26 (10) C20—C21—C22 119.27 (13)
C1—N1—C5 121.02 (11) F10—C22—C21 114.91 (11)
O2—C1—N1 114.61 (10) F10—C22—C17 120.77 (10)
O2—C1—C2 123.66 (10) C21—C22—C17 124.32 (13)
N1—C1—C2 121.70 (10) C24—C23—H23A 109.5
O3—N2—C6 114.78 (9) C24—C23—H23B 109.5
O3—N2—C10 124.02 (10) H23A—C23—H23B 109.5
C6—N2—C10 121.20 (10) C24—C23—H23C 109.5
O4—C6—N2 114.45 (9) H23A—C23—H23C 109.5
O4—C6—C7 124.04 (10) H23B—C23—H23C 109.5
N2—C6—C7 121.50 (10) C23—C24—C25 115.3 (6)
O2—N1'—C1' 114.61 (10) C23—C24—H24A 108.4
O2—N1'—C2 123.66 (10) C25—C24—H24A 108.4
C1'—N1'—C2 121.70 (10) C23—C24—H24B 108.4
O1—C1'—N1' 114.69 (9) C25—C24—H24B 108.4
O1—C1'—C5 124.26 (10) H24A—C24—H24B 107.5
N1'—C1'—C5 121.02 (11) C26—C25—C24 109.8 (6)
O4—N2'—C6' 114.45 (9) C26—C25—H25A 109.7
O4—N2'—C7 124.04 (10) C24—C25—H25A 109.7
C6'—N2'—C7 121.50 (10) C26—C25—H25B 109.7
O3—C6'—N2' 114.78 (9) C24—C25—H25B 109.7
O3—C6'—C10 124.02 (10) H25A—C25—H25B 108.2
N2'—C6'—C10 121.20 (10) C27—C26—C25 114.5 (6)
N1'—C2—C3 118.72 (11) C27—C26—H26A 108.6
C1—C2—C3 118.72 (11) C25—C26—H26A 108.6
C1—C2—H2 120.6 C27—C26—H26B 108.6
C3—C2—H2 120.6 C25—C26—H26B 108.6
C2—C3—C4 119.88 (12) H26A—C26—H26B 107.6
C2—C3—H3 120.1 C26—C27—H27A 109.5
C4—C3—H3 120.1 C26—C27—H27B 109.5
C5—C4—C3 120.26 (12) H27A—C27—H27B 109.5
C5—C4—H4 119.9 C26—C27—H27C 109.5
C3—C4—H4 119.9 H27A—C27—H27C 109.5
C1'—C5—C4 118.42 (11) H27B—C27—H27C 109.5
N1—C5—C4 118.42 (11) C23'—O5'—C26' 109.5 (5)
N1—C5—H5 120.8 O5'—C23'—C24' 104.9 (4)
C4—C5—H5 120.8 O5'—C23'—H23D 110.8
N2'—C7—C8 118.54 (11) C24'—C23'—H23D 110.8
C6—C7—C8 118.54 (11) O5'—C23'—H23E 110.8
C6—C7—H7 120.7 C24'—C23'—H23E 110.8
C8—C7—H7 120.7 H23D—C23'—H23E 108.8
C7—C8—C9 119.84 (11) C25'—C24'—C23' 102.3 (4)
C7—C8—H8 120.1 C25'—C24'—H24C 111.3
C9—C8—H8 120.1 C23'—C24'—H24C 111.3
C10—C9—C8 120.24 (12) C25'—C24'—H24D 111.3
C10—C9—H9 119.9 C23'—C24'—H24D 111.3
C8—C9—H9 119.9 H24C—C24'—H24D 109.2
C6'—C10—C9 118.59 (12) C24'—C25'—C26' 105.0 (6)
N2—C10—C9 118.59 (12) C24'—C25'—H25C 110.7
N2—C10—H10 120.7 C26'—C25'—H25C 110.7
C9—C10—H10 120.7 C24'—C25'—H25D 110.7
C16—C11—C12 113.42 (10) C26'—C25'—H25D 110.7
C16—C11—Si1 123.97 (8) H25C—C25'—H25D 108.8
C12—C11—Si1 122.43 (8) O5'—C26'—C25' 104.9 (7)
F1—C12—C13 115.50 (10) O5'—C26'—H26C 110.8
F1—C12—C11 120.11 (10) C25'—C26'—H26C 110.8
C13—C12—C11 124.37 (11) O5'—C26'—H26D 110.8
F2—C13—C12 120.66 (12) C25'—C26'—H26D 110.8
F2—C13—C14 119.84 (11) H26C—C26'—H26D 108.8
O4—Si1—O1—C1' −28.5 (2) O1—C1'—C5—C4 178.47 (11)
O3—Si1—O1—C1' −77.23 (8) N1'—C1'—C5—C4 0.59 (18)
O2—Si1—O1—C1' 10.60 (8) O1—N1—C5—C4 178.47 (11)
C11—Si1—O1—C1' −167.31 (8) C1—N1—C5—C4 0.59 (18)
C17—Si1—O1—C1' 98.65 (8) C3—C4—C5—C1' −0.66 (19)
O4—Si1—O1—N1 −28.5 (2) C3—C4—C5—N1 −0.66 (19)
O3—Si1—O1—N1 −77.23 (8) O4—N2'—C7—C8 176.47 (11)
O2—Si1—O1—N1 10.60 (8) C6'—N2'—C7—C8 −3.09 (18)
C11—Si1—O1—N1 −167.31 (8) O4—C6—C7—C8 176.47 (11)
C17—Si1—O1—N1 98.65 (8) N2—C6—C7—C8 −3.09 (18)
O1—Si1—O2—N1' −10.44 (7) N2'—C7—C8—C9 0.8 (2)
O4—Si1—O2—N1' 161.20 (8) C6—C7—C8—C9 0.8 (2)
O3—Si1—O2—N1' 76.40 (7) C7—C8—C9—C10 1.3 (2)
C17—Si1—O2—N1' −110.02 (8) O3—C6'—C10—C9 179.41 (13)
O1—Si1—O2—C1 −10.44 (7) N2'—C6'—C10—C9 −1.0 (2)
O4—Si1—O2—C1 161.20 (8) O3—N2—C10—C9 179.41 (13)
O3—Si1—O2—C1 76.40 (7) C6—N2—C10—C9 −1.0 (2)
C17—Si1—O2—C1 −110.02 (8) C8—C9—C10—C6' −1.3 (2)
O1—Si1—O3—C6' 154.54 (8) C8—C9—C10—N2 −1.3 (2)
O4—Si1—O3—C6' −15.49 (8) C16—C11—C12—F1 179.86 (10)
O2—Si1—O3—C6' 69.23 (8) Si1—C11—C12—F1 4.45 (15)
C11—Si1—O3—C6' −114.06 (8) C16—C11—C12—C13 1.43 (17)
O1—Si1—O3—N2 154.54 (8) Si1—C11—C12—C13 −173.97 (9)
O4—Si1—O3—N2 −15.49 (8) F1—C12—C13—F2 1.51 (17)
O2—Si1—O3—N2 69.23 (8) C11—C12—C13—F2 180.00 (11)
C11—Si1—O3—N2 −114.06 (8) F1—C12—C13—C14 −177.48 (11)
O1—Si1—O4—N2' −31.6 (2) C11—C12—C13—C14 1.01 (19)
O3—Si1—O4—N2' 17.32 (7) F2—C13—C14—F3 −3.34 (18)
O2—Si1—O4—N2' −70.74 (8) C12—C13—C14—F3 175.65 (11)
C11—Si1—O4—N2' 106.66 (8) F2—C13—C14—C15 178.54 (11)
C17—Si1—O4—N2' −159.74 (8) C12—C13—C14—C15 −2.46 (18)
O1—Si1—O4—C6 −31.6 (2) F3—C14—C15—F4 2.55 (18)
O3—Si1—O4—C6 17.32 (7) C13—C14—C15—F4 −179.32 (11)
O2—Si1—O4—C6 −70.74 (8) F3—C14—C15—C16 −176.71 (11)
C11—Si1—O4—C6 106.66 (8) C13—C14—C15—C16 1.41 (18)
C17—Si1—O4—C6 −159.74 (8) F4—C15—C16—F5 0.51 (16)
Si1—O1—N1—C1 −8.78 (12) C14—C15—C16—F5 179.77 (11)
Si1—O1—N1—C5 173.22 (9) F4—C15—C16—C11 −178.03 (11)
Si1—O2—C1—N1 8.22 (12) C14—C15—C16—C11 1.23 (19)
Si1—O2—C1—C2 −173.65 (9) C12—C11—C16—F5 178.98 (10)
O1—N1—C1—O2 0.12 (14) Si1—C11—C16—F5 −5.70 (16)
C5—N1—C1—O2 178.19 (10) C12—C11—C16—C15 −2.56 (17)
O1—N1—C1—C2 −178.04 (10) Si1—C11—C16—C15 172.76 (9)
C5—N1—C1—C2 0.02 (17) C22—C17—C18—F6 178.41 (11)
Si1—O3—N2—C6 10.62 (12) Si1—C17—C18—F6 −7.13 (16)
Si1—O3—N2—C10 −169.72 (11) C22—C17—C18—C19 −2.95 (19)
Si1—O4—C6—N2 −15.96 (12) Si1—C17—C18—C19 171.50 (11)
Si1—O4—C6—C7 164.44 (9) F6—C18—C19—F7 1.0 (2)
O3—N2—C6—O4 3.27 (15) C17—C18—C19—F7 −177.71 (13)
C10—N2—C6—O4 −176.40 (11) F6—C18—C19—C20 −179.78 (14)
O3—N2—C6—C7 −177.13 (11) C17—C18—C19—C20 1.5 (2)
C10—N2—C6—C7 3.20 (18) F7—C19—C20—F8 −0.9 (3)
Si1—O2—N1'—C1' 8.22 (12) C18—C19—C20—F8 179.89 (15)
Si1—O2—N1'—C2 −173.65 (9) F7—C19—C20—C21 179.80 (15)
Si1—O1—C1'—N1' −8.78 (12) C18—C19—C20—C21 0.6 (2)
Si1—O1—C1'—C5 173.22 (9) F8—C20—C21—F9 0.5 (3)
O2—N1'—C1'—O1 0.12 (14) C19—C20—C21—F9 179.87 (15)
C2—N1'—C1'—O1 −178.04 (10) F8—C20—C21—C22 179.77 (15)
O2—N1'—C1'—C5 178.19 (10) C19—C20—C21—C22 −0.9 (3)
C2—N1'—C1'—C5 0.02 (17) F9—C21—C22—F10 −0.7 (2)
Si1—O4—N2'—C6' −15.96 (12) C20—C21—C22—F10 −179.93 (14)
Si1—O4—N2'—C7 164.44 (9) F9—C21—C22—C17 178.44 (13)
Si1—O3—C6'—N2' 10.62 (12) C20—C21—C22—C17 −0.8 (2)
Si1—O3—C6'—C10 −169.72 (11) C18—C17—C22—F10 −178.32 (11)
O4—N2'—C6'—O3 3.27 (15) Si1—C17—C22—F10 7.26 (17)
C7—N2'—C6'—O3 −177.13 (11) C18—C17—C22—C21 2.58 (19)
O4—N2'—C6'—C10 −176.40 (11) Si1—C17—C22—C21 −171.84 (11)
C7—N2'—C6'—C10 3.20 (18) C23—C24—C25—C26 −72.1 (8)
O2—N1'—C2—C3 −178.57 (11) C24—C25—C26—C27 173.7 (6)
C1'—N1'—C2—C3 −0.58 (18) C26'—O5'—C23'—C24' −20.7 (6)
O2—C1—C2—C3 −178.57 (11) O5'—C23'—C24'—C25' 34.3 (6)
N1—C1—C2—C3 −0.58 (18) C23'—C24'—C25'—C26' −35.2 (7)
N1'—C2—C3—C4 0.5 (2) C23'—O5'—C26'—C25' −1.3 (7)
C1—C2—C3—C4 0.5 (2) C24'—C25'—C26'—O5' 23.2 (8)
C2—C3—C4—C5 0.1 (2)