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. 2016 Apr 26;72(Pt 5):734–736. doi: 10.1107/S2056989016006769
C1A—C6A 1.387 (7) C3B—C4B 1.344 (9)
C1A—C2A 1.405 (7) C3B—H3B 0.9300
C1A—C7A 1.470 (7) C4B—C5B 1.356 (9)
C2A—C3A 1.378 (8) C4B—F1B 1.378 (7)
C2A—H2A 0.9300 C5B—C6B 1.391 (8)
C3A—C4A 1.360 (8) C5B—H5B 0.9300
C3A—H3A 0.9300 C6B—H6B 0.9300
C4A—C5A 1.358 (8) C7B—C8B 1.330 (8)
C4A—F1A 1.368 (7) C7B—S1B 1.715 (5)
C5A—C6A 1.376 (8) C8B—C9B 1.411 (8)
C5A—H5A 0.9300 C8B—H8B 0.9300
C6A—H6A 0.9300 C9B—C10B 1.345 (7)
C7A—C8A 1.348 (7) C9B—H9B 0.9300
C7A—S1A 1.731 (4) C10B—C11B 1.502 (7)
C8A—C9A 1.418 (7) C10B—S1B 1.710 (5)
C8A—H8A 0.9300 C11B—C12B 1.527 (6)
C9A—C10A 1.354 (6) C11B—H11C 0.9700
C9A—H9A 0.9300 C11B—H11D 0.9700
C10A—C11A 1.491 (6) C12B—C13B 1.383 (6)
C10A—S1A 1.721 (5) C12B—C17B 1.390 (6)
C11A—C12A 1.526 (6) C13B—C14B 1.404 (6)
C11A—H11A 0.9700 C13B—H13B 0.9300
C11A—H11B 0.9700 C14B—C15B 1.379 (6)
C12A—C13A 1.383 (6) C14B—C19B 1.504 (6)
C12A—C17A 1.407 (6) C15B—C16B 1.371 (6)
C13A—C14A 1.375 (6) C15B—H15B 0.9300
C13A—H13A 0.9300 C16B—C17B 1.383 (6)
C14A—C15A 1.394 (6) C16B—H16B 0.9300
C14A—C19A 1.501 (6) C17B—C18B 1.508 (6)
C15A—C16A 1.383 (6) C18B—H18D 0.9600
C15A—H15A 0.9300 C18B—H18E 0.9600
C16A—C17A 1.379 (7) C18B—H18F 0.9600
C16A—H16A 0.9300 C19B—O1B 1.427 (5)
C17A—C18A 1.513 (7) C19B—C20B 1.528 (6)
C18A—H18A 0.9600 C19B—H19B 0.9800
C18A—H18B 0.9600 C20B—O2B 1.439 (5)
C18A—H18C 0.9600 C20B—C21B 1.524 (6)
C19A—O1A 1.428 (5) C20B—H20B 0.9800
C19A—C20A 1.521 (6) C21B—O3B 1.428 (5)
C19A—H19A 0.9800 C21B—C22B 1.499 (6)
C20A—O2A 1.428 (5) C21B—H21B 0.9800
C20A—C21A 1.515 (6) C22B—O4B 1.436 (5)
C20A—H20A 0.9800 C22B—C23B 1.526 (6)
C21A—O3A 1.434 (5) C22B—H22B 0.9800
C21A—C22A 1.506 (6) C23B—O1B 1.444 (5)
C21A—H21A 0.9800 C23B—C24B 1.500 (6)
C22A—O4A 1.439 (5) C23B—H23B 0.9800
C22A—C23A 1.522 (6) C24B—O5B 1.435 (5)
C22A—H22A 0.9800 C24B—H24C 0.9700
C23A—O1A 1.427 (5) C24B—H24D 0.9700
C23A—C24A 1.567 (7) O2A—H2A1 0.8200
C23A—H23A 0.9800 O3A—H3A1 0.8200
C24A—O5A 1.401 (6) O4A—H4A 0.8200
C24A—H24A 0.9700 O5A—H5A1 0.8200
C24A—H24B 0.9700 O2B—H2B1 0.8200
C1B—C2B 1.386 (7) O3B—H3B1 0.8200
C1B—C6B 1.387 (8) O4B—H4B 0.8200
C1B—C7B 1.476 (7) O5B—H5B1 0.8200
C2B—C3B 1.375 (8) O6—H61 0.8228
C2B—H2B 0.9300 O6—H62 0.8292
C6A—C1A—C2A 117.1 (5) C4B—C3B—H3B 121.3
C6A—C1A—C7A 122.3 (5) C2B—C3B—H3B 121.3
C2A—C1A—C7A 120.5 (5) C3B—C4B—C5B 124.1 (7)
C3A—C2A—C1A 121.1 (6) C3B—C4B—F1B 118.2 (7)
C3A—C2A—H2A 119.4 C5B—C4B—F1B 117.7 (8)
C1A—C2A—H2A 119.4 C4B—C5B—C6B 117.4 (7)
C4A—C3A—C2A 118.0 (6) C4B—C5B—H5B 121.3
C4A—C3A—H3A 121.0 C6B—C5B—H5B 121.3
C2A—C3A—H3A 121.0 C1B—C6B—C5B 121.3 (6)
C5A—C4A—C3A 123.9 (6) C1B—C6B—H6B 119.3
C5A—C4A—F1A 117.5 (6) C5B—C6B—H6B 119.3
C3A—C4A—F1A 118.5 (6) C8B—C7B—C1B 129.0 (5)
C4A—C5A—C6A 117.4 (6) C8B—C7B—S1B 110.5 (4)
C4A—C5A—H5A 121.3 C1B—C7B—S1B 120.4 (4)
C6A—C5A—H5A 121.3 C7B—C8B—C9B 113.5 (6)
C5A—C6A—C1A 122.4 (5) C7B—C8B—H8B 123.3
C5A—C6A—H6A 118.8 C9B—C8B—H8B 123.3
C1A—C6A—H6A 118.8 C10B—C9B—C8B 113.4 (5)
C8A—C7A—C1A 130.8 (4) C10B—C9B—H9B 123.3
C8A—C7A—S1A 109.9 (4) C8B—C9B—H9B 123.3
C1A—C7A—S1A 119.1 (4) C9B—C10B—C11B 127.3 (5)
C7A—C8A—C9A 113.5 (5) C9B—C10B—S1B 110.0 (4)
C7A—C8A—H8A 123.3 C11B—C10B—S1B 122.6 (4)
C9A—C8A—H8A 123.3 C10B—C11B—C12B 111.7 (4)
C10A—C9A—C8A 114.0 (5) C10B—C11B—H11C 109.3
C10A—C9A—H9A 123.0 C12B—C11B—H11C 109.3
C8A—C9A—H9A 123.0 C10B—C11B—H11D 109.3
C9A—C10A—C11A 129.8 (5) C12B—C11B—H11D 109.3
C9A—C10A—S1A 109.6 (4) H11C—C11B—H11D 107.9
C11A—C10A—S1A 120.6 (3) C13B—C12B—C17B 119.8 (4)
C10A—C11A—C12A 115.7 (4) C13B—C12B—C11B 117.5 (5)
C10A—C11A—H11A 108.4 C17B—C12B—C11B 122.7 (4)
C12A—C11A—H11A 108.4 C12B—C13B—C14B 121.4 (4)
C10A—C11A—H11B 108.4 C12B—C13B—H13B 119.3
C12A—C11A—H11B 108.4 C14B—C13B—H13B 119.3
H11A—C11A—H11B 107.4 C15B—C14B—C13B 118.0 (4)
C13A—C12A—C17A 119.1 (4) C15B—C14B—C19B 121.6 (4)
C13A—C12A—C11A 120.6 (4) C13B—C14B—C19B 120.4 (4)
C17A—C12A—C11A 120.3 (4) C16B—C15B—C14B 120.4 (4)
C14A—C13A—C12A 122.8 (4) C16B—C15B—H15B 119.8
C14A—C13A—H13A 118.6 C14B—C15B—H15B 119.8
C12A—C13A—H13A 118.6 C15B—C16B—C17B 122.1 (5)
C13A—C14A—C15A 117.8 (4) C15B—C16B—H16B 118.9
C13A—C14A—C19A 123.7 (4) C17B—C16B—H16B 118.9
C15A—C14A—C19A 118.5 (4) C16B—C17B—C12B 118.3 (4)
C16A—C15A—C14A 120.3 (5) C16B—C17B—C18B 119.6 (5)
C16A—C15A—H15A 119.8 C12B—C17B—C18B 122.0 (5)
C14A—C15A—H15A 119.8 C17B—C18B—H18D 109.5
C17A—C16A—C15A 121.7 (5) C17B—C18B—H18E 109.5
C17A—C16A—H16A 119.2 H18D—C18B—H18E 109.5
C15A—C16A—H16A 119.2 C17B—C18B—H18F 109.5
C16A—C17A—C12A 118.4 (5) H18D—C18B—H18F 109.5
C16A—C17A—C18A 120.0 (4) H18E—C18B—H18F 109.5
C12A—C17A—C18A 121.6 (5) O1B—C19B—C14B 107.9 (3)
C17A—C18A—H18A 109.5 O1B—C19B—C20B 109.9 (3)
C17A—C18A—H18B 109.5 C14B—C19B—C20B 110.9 (4)
H18A—C18A—H18B 109.5 O1B—C19B—H19B 109.4
C17A—C18A—H18C 109.5 C14B—C19B—H19B 109.4
H18A—C18A—H18C 109.5 C20B—C19B—H19B 109.4
H18B—C18A—H18C 109.5 O2B—C20B—C21B 109.3 (3)
O1A—C19A—C14A 106.9 (3) O2B—C20B—C19B 107.4 (3)
O1A—C19A—C20A 109.0 (3) C21B—C20B—C19B 113.5 (3)
C14A—C19A—C20A 113.6 (4) O2B—C20B—H20B 108.8
O1A—C19A—H19A 109.1 C21B—C20B—H20B 108.8
C14A—C19A—H19A 109.1 C19B—C20B—H20B 108.8
C20A—C19A—H19A 109.1 O3B—C21B—C22B 109.5 (4)
O2A—C20A—C21A 111.7 (3) O3B—C21B—C20B 109.8 (4)
O2A—C20A—C19A 108.2 (3) C22B—C21B—C20B 112.6 (3)
C21A—C20A—C19A 111.4 (4) O3B—C21B—H21B 108.3
O2A—C20A—H20A 108.5 C22B—C21B—H21B 108.3
C21A—C20A—H20A 108.5 C20B—C21B—H21B 108.3
C19A—C20A—H20A 108.5 O4B—C22B—C21B 110.9 (3)
O3A—C21A—C22A 107.4 (4) O4B—C22B—C23B 106.5 (3)
O3A—C21A—C20A 111.7 (4) C21B—C22B—C23B 109.5 (4)
C22A—C21A—C20A 111.3 (3) O4B—C22B—H22B 109.9
O3A—C21A—H21A 108.8 C21B—C22B—H22B 109.9
C22A—C21A—H21A 108.8 C23B—C22B—H22B 109.9
C20A—C21A—H21A 108.8 O1B—C23B—C24B 105.9 (3)
O4A—C22A—C21A 106.9 (3) O1B—C23B—C22B 107.6 (3)
O4A—C22A—C23A 110.3 (4) C24B—C23B—C22B 114.1 (4)
C21A—C22A—C23A 111.2 (4) O1B—C23B—H23B 109.7
O4A—C22A—H22A 109.5 C24B—C23B—H23B 109.7
C21A—C22A—H22A 109.5 C22B—C23B—H23B 109.7
C23A—C22A—H22A 109.5 O5B—C24B—C23B 108.5 (4)
O1A—C23A—C22A 109.8 (4) O5B—C24B—H24C 110.0
O1A—C23A—C24A 104.7 (3) C23B—C24B—H24C 110.0
C22A—C23A—C24A 108.2 (4) O5B—C24B—H24D 110.0
O1A—C23A—H23A 111.3 C23B—C24B—H24D 110.0
C22A—C23A—H23A 111.3 H24C—C24B—H24D 108.4
C24A—C23A—H23A 111.3 C23A—O1A—C19A 114.3 (3)
O5A—C24A—C23A 108.1 (5) C20A—O2A—H2A1 109.5
O5A—C24A—H24A 110.1 C21A—O3A—H3A1 109.5
C23A—C24A—H24A 110.1 C22A—O4A—H4A 109.5
O5A—C24A—H24B 110.1 C24A—O5A—H5A1 109.5
C23A—C24A—H24B 110.1 C19B—O1B—C23B 112.8 (3)
H24A—C24A—H24B 108.4 C20B—O2B—H2B1 109.5
C2B—C1B—C6B 117.1 (6) C21B—O3B—H3B1 109.5
C2B—C1B—C7B 121.0 (6) C22B—O4B—H4B 109.5
C6B—C1B—C7B 121.8 (5) C24B—O5B—H5B1 109.5
C3B—C2B—C1B 122.4 (6) H61—O6—H62 89.8
C3B—C2B—H2B 118.8 C10A—S1A—C7A 93.0 (2)
C1B—C2B—H2B 118.8 C10B—S1B—C7B 92.6 (3)
C4B—C3B—C2B 117.5 (6)
C6A—C1A—C2A—C3A −0.9 (8) C7B—C1B—C6B—C5B −176.1 (5)
C7A—C1A—C2A—C3A 176.6 (5) C4B—C5B—C6B—C1B 1.6 (10)
C1A—C2A—C3A—C4A 0.9 (8) C2B—C1B—C7B—C8B 20.5 (9)
C2A—C3A—C4A—C5A −1.0 (10) C6B—C1B—C7B—C8B −162.9 (6)
C2A—C3A—C4A—F1A −179.0 (5) C2B—C1B—C7B—S1B −156.6 (4)
C3A—C4A—C5A—C6A 1.1 (9) C6B—C1B—C7B—S1B 20.1 (7)
F1A—C4A—C5A—C6A 179.1 (5) C1B—C7B—C8B—C9B −177.8 (5)
C4A—C5A—C6A—C1A −1.0 (9) S1B—C7B—C8B—C9B −0.5 (6)
C2A—C1A—C6A—C5A 0.9 (8) C7B—C8B—C9B—C10B 0.6 (7)
C7A—C1A—C6A—C5A −176.5 (5) C8B—C9B—C10B—C11B −178.3 (5)
C6A—C1A—C7A—C8A −161.5 (6) C8B—C9B—C10B—S1B −0.3 (6)
C2A—C1A—C7A—C8A 21.2 (8) C9B—C10B—C11B—C12B 108.0 (6)
C6A—C1A—C7A—S1A 24.2 (6) S1B—C10B—C11B—C12B −69.8 (5)
C2A—C1A—C7A—S1A −153.1 (4) C10B—C11B—C12B—C13B −84.3 (5)
C1A—C7A—C8A—C9A −174.5 (5) C10B—C11B—C12B—C17B 93.7 (6)
S1A—C7A—C8A—C9A 0.2 (6) C17B—C12B—C13B—C14B −0.6 (7)
C7A—C8A—C9A—C10A 0.9 (7) C11B—C12B—C13B—C14B 177.4 (4)
C8A—C9A—C10A—C11A 178.1 (5) C12B—C13B—C14B—C15B −0.7 (6)
C8A—C9A—C10A—S1A −1.5 (6) C12B—C13B—C14B—C19B 177.0 (4)
C9A—C10A—C11A—C12A 113.3 (6) C13B—C14B—C15B—C16B 1.4 (6)
S1A—C10A—C11A—C12A −67.1 (5) C19B—C14B—C15B—C16B −176.2 (4)
C10A—C11A—C12A—C13A 106.6 (5) C14B—C15B—C16B—C17B −0.9 (7)
C10A—C11A—C12A—C17A −71.5 (6) C15B—C16B—C17B—C12B −0.4 (7)
C17A—C12A—C13A—C14A −0.6 (7) C15B—C16B—C17B—C18B 178.1 (4)
C11A—C12A—C13A—C14A −178.7 (4) C13B—C12B—C17B—C16B 1.1 (7)
C12A—C13A—C14A—C15A 0.9 (7) C11B—C12B—C17B—C16B −176.8 (4)
C12A—C13A—C14A—C19A 179.8 (4) C13B—C12B—C17B—C18B −177.3 (4)
C13A—C14A—C15A—C16A −0.5 (7) C11B—C12B—C17B—C18B 4.7 (7)
C19A—C14A—C15A—C16A −179.5 (4) C15B—C14B—C19B—O1B −141.6 (4)
C14A—C15A—C16A—C17A −0.2 (8) C13B—C14B—C19B—O1B 40.9 (5)
C15A—C16A—C17A—C12A 0.5 (8) C15B—C14B—C19B—C20B 98.1 (5)
C15A—C16A—C17A—C18A −178.0 (5) C13B—C14B—C19B—C20B −79.5 (5)
C13A—C12A—C17A—C16A −0.1 (7) O1B—C19B—C20B—O2B 167.9 (3)
C11A—C12A—C17A—C16A 178.0 (4) C14B—C19B—C20B—O2B −72.9 (4)
C13A—C12A—C17A—C18A 178.3 (4) O1B—C19B—C20B—C21B 46.9 (5)
C11A—C12A—C17A—C18A −3.6 (7) C14B—C19B—C20B—C21B 166.2 (4)
C13A—C14A—C19A—O1A −132.3 (4) O2B—C20B—C21B—O3B 73.6 (4)
C15A—C14A—C19A—O1A 46.7 (5) C19B—C20B—C21B—O3B −166.5 (3)
C13A—C14A—C19A—C20A 107.5 (5) O2B—C20B—C21B—C22B −164.1 (3)
C15A—C14A—C19A—C20A −73.6 (5) C19B—C20B—C21B—C22B −44.2 (5)
O1A—C19A—C20A—O2A 178.0 (3) O3B—C21B—C22B—O4B −69.7 (4)
C14A—C19A—C20A—O2A −62.9 (5) C20B—C21B—C22B—O4B 167.8 (3)
O1A—C19A—C20A—C21A 54.8 (5) O3B—C21B—C22B—C23B 173.0 (3)
C14A—C19A—C20A—C21A 173.9 (4) C20B—C21B—C22B—C23B 50.5 (5)
O2A—C20A—C21A—O3A 67.4 (5) O4B—C22B—C23B—O1B 179.2 (3)
C19A—C20A—C21A—O3A −171.4 (3) C21B—C22B—C23B—O1B −60.8 (4)
O2A—C20A—C21A—C22A −172.5 (4) O4B—C22B—C23B—C24B 62.0 (5)
C19A—C20A—C21A—C22A −51.4 (5) C21B—C22B—C23B—C24B −178.0 (4)
O3A—C21A—C22A—O4A −66.4 (4) O1B—C23B—C24B—O5B 67.8 (4)
C20A—C21A—C22A—O4A 171.0 (4) C22B—C23B—C24B—O5B −174.0 (4)
O3A—C21A—C22A—C23A 173.2 (3) C22A—C23A—O1A—C19A 61.0 (5)
C20A—C21A—C22A—C23A 50.5 (5) C24A—C23A—O1A—C19A 176.9 (4)
O4A—C22A—C23A—O1A −172.3 (3) C14A—C19A—O1A—C23A 175.6 (4)
C21A—C22A—C23A—O1A −53.9 (5) C20A—C19A—O1A—C23A −61.2 (5)
O4A—C22A—C23A—C24A 74.0 (4) C14B—C19B—O1B—C23B 178.8 (3)
C21A—C22A—C23A—C24A −167.6 (4) C20B—C19B—O1B—C23B −60.1 (4)
O1A—C23A—C24A—O5A 68.2 (5) C24B—C23B—O1B—C19B −169.8 (3)
C22A—C23A—C24A—O5A −174.7 (4) C22B—C23B—O1B—C19B 67.7 (4)
C6B—C1B—C2B—C3B −0.5 (9) C9A—C10A—S1A—C7A 1.4 (4)
C7B—C1B—C2B—C3B 176.3 (5) C11A—C10A—S1A—C7A −178.3 (4)
C1B—C2B—C3B—C4B −2.0 (10) C8A—C7A—S1A—C10A −0.9 (4)
C2B—C3B—C4B—C5B 4.7 (11) C1A—C7A—S1A—C10A 174.5 (4)
C2B—C3B—C4B—F1B −177.5 (6) C9B—C10B—S1B—C7B 0.0 (4)
C3B—C4B—C5B—C6B −4.5 (11) C11B—C10B—S1B—C7B 178.1 (4)
F1B—C4B—C5B—C6B 177.7 (6) C8B—C7B—S1B—C10B 0.3 (4)
C2B—C1B—C6B—C5B 0.7 (8) C1B—C7B—S1B—C10B 177.8 (4)