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. 2011 Jun 18;67(Pt 7):o1719–o1720. doi: 10.1107/S1600536811023014
O1A—C7A 1.3822 (17) O1B—C7B 1.3774 (18)
O1A—C6A 1.3847 (16) O1B—C6B 1.3800 (18)
O2A—C2A 1.2248 (18) O2B—C2B 1.2240 (18)
O3A—C11A 1.2291 (18) O3B—C11B 1.2240 (18)
O4A—C17A 1.3704 (17) O4B—C17B 1.3673 (17)
O4A—C20A 1.4329 (17) O4B—C20B 1.4346 (17)
O5A—C16A 1.3733 (18) O5B—C16B 1.3875 (16)
O5A—C21A 1.4247 (19) O5B—C21B 1.434 (2)
C1A—C6A 1.340 (2) C1B—C6B 1.346 (2)
C1A—C2A 1.4768 (19) C1B—C2B 1.471 (2)
C1A—C13A 1.5102 (19) C1B—C13B 1.511 (2)
C2A—C3A 1.512 (2) C2B—C3B 1.512 (2)
C3A—C4A 1.532 (2) C3B—C4B 1.537 (2)
C3A—H3AA 0.9900 C3B—H3BA 0.9900
C3A—H3AB 0.9900 C3B—H3BB 0.9900
C4A—C23A 1.528 (2) C4B—C23B 1.527 (2)
C4A—C22A 1.537 (2) C4B—C22B 1.535 (2)
C4A—C5A 1.5390 (19) C4B—C5B 1.538 (2)
C5A—C6A 1.489 (2) C5B—C6B 1.488 (2)
C5A—H5AA 0.9900 C5B—H5BA 0.9900
C5A—H5AB 0.9900 C5B—H5BB 0.9900
C7A—C12A 1.340 (2) C7B—C12B 1.344 (2)
C7A—C8A 1.4983 (19) C7B—C8B 1.494 (2)
C8A—C9A 1.540 (2) C8B—C9B 1.530 (2)
C8A—H8AA 0.9900 C8B—H8BA 0.9900
C8A—H8AB 0.9900 C8B—H8BB 0.9900
C9A—C10A 1.528 (2) C9B—C25B 1.528 (2)
C9A—C25A 1.534 (2) C9B—C24B 1.535 (2)
C9A—C24A 1.535 (2) C9B—C10B 1.538 (2)
C10A—C11A 1.515 (2) C10B—C11B 1.511 (2)
C10A—H10A 0.9900 C10B—H10C 0.9900
C10A—H10B 0.9900 C10B—H10D 0.9900
C11A—C12A 1.4730 (19) C11B—C12B 1.474 (2)
C12A—C13A 1.5167 (19) C12B—C13B 1.511 (2)
C13A—C14A 1.5289 (19) C13B—C14B 1.530 (2)
C13A—H13A 1.0000 C13B—H13B 1.0000
C14A—C19A 1.3813 (19) C14B—C19B 1.391 (2)
C14A—C15A 1.399 (2) C14B—C15B 1.4026 (19)
C15A—C16A 1.384 (2) C15B—C16B 1.380 (2)
C15A—H15A 0.9500 C15B—H15B 0.9500
C16A—C17A 1.408 (2) C16B—C17B 1.4090 (19)
C17A—C18A 1.383 (2) C17B—C18B 1.394 (2)
C18A—C19A 1.396 (2) C18B—C19B 1.393 (2)
C18A—H18A 0.9500 C18B—H18B 0.9500
C19A—H19A 0.9500 C19B—H19B 0.9500
C20A—H20A 0.9800 C20B—H20D 0.9800
C20A—H20B 0.9800 C20B—H20E 0.9800
C20A—H20C 0.9800 C20B—H20F 0.9800
C21A—H21A 0.9800 C21B—H21D 0.9800
C21A—H21B 0.9800 C21B—H21E 0.9800
C21A—H21C 0.9800 C21B—H21F 0.9800
C22A—H22A 0.9800 C22B—H22D 0.9800
C22A—H22B 0.9800 C22B—H22E 0.9800
C22A—H22C 0.9800 C22B—H22F 0.9800
C23A—H23A 0.9800 C23B—H23D 0.9800
C23A—H23B 0.9800 C23B—H23E 0.9800
C23A—H23C 0.9800 C23B—H23G 0.9800
C24A—H24A 0.9800 C24B—H24D 0.9800
C24A—H24B 0.9800 C24B—H24G 0.9800
C24A—H24C 0.9800 C24B—H24E 0.9800
C25A—H25A 0.9800 C25B—H25D 0.9800
C25A—H25B 0.9800 C25B—H25E 0.9800
C25A—H25C 0.9800 C25B—H25F 0.9800
C7A—O1A—C6A 117.69 (11) C7B—O1B—C6B 117.46 (11)
C17A—O4A—C20A 116.72 (12) C17B—O4B—C20B 116.61 (11)
C16A—O5A—C21A 116.35 (12) C16B—O5B—C21B 112.54 (11)
C6A—C1A—C2A 118.52 (12) C6B—C1B—C2B 118.46 (14)
C6A—C1A—C13A 122.70 (12) C6B—C1B—C13B 122.33 (14)
C2A—C1A—C13A 118.71 (12) C2B—C1B—C13B 119.20 (12)
O2A—C2A—C1A 120.48 (13) O2B—C2B—C1B 120.67 (14)
O2A—C2A—C3A 121.12 (13) O2B—C2B—C3B 121.21 (14)
C1A—C2A—C3A 118.36 (12) C1B—C2B—C3B 118.04 (13)
C2A—C3A—C4A 114.67 (12) C2B—C3B—C4B 115.09 (12)
C2A—C3A—H3AA 108.6 C2B—C3B—H3BA 108.5
C4A—C3A—H3AA 108.6 C4B—C3B—H3BA 108.5
C2A—C3A—H3AB 108.6 C2B—C3B—H3BB 108.5
C4A—C3A—H3AB 108.6 C4B—C3B—H3BB 108.5
H3AA—C3A—H3AB 107.6 H3BA—C3B—H3BB 107.5
C23A—C4A—C3A 109.81 (12) C23B—C4B—C22B 109.54 (13)
C23A—C4A—C22A 109.05 (13) C23B—C4B—C3B 109.74 (12)
C3A—C4A—C22A 110.56 (12) C22B—C4B—C3B 110.21 (12)
C23A—C4A—C5A 108.77 (12) C23B—C4B—C5B 108.79 (12)
C3A—C4A—C5A 108.24 (12) C22B—C4B—C5B 110.42 (12)
C22A—C4A—C5A 110.40 (12) C3B—C4B—C5B 108.10 (12)
C6A—C5A—C4A 112.43 (12) C6B—C5B—C4B 112.54 (12)
C6A—C5A—H5AA 109.1 C6B—C5B—H5BA 109.1
C4A—C5A—H5AA 109.1 C4B—C5B—H5BA 109.1
C6A—C5A—H5AB 109.1 C6B—C5B—H5BB 109.1
C4A—C5A—H5AB 109.1 C4B—C5B—H5BB 109.1
H5AA—C5A—H5AB 107.9 H5BA—C5B—H5BB 107.8
C1A—C6A—O1A 123.02 (12) C1B—C6B—O1B 122.38 (14)
C1A—C6A—C5A 125.53 (12) C1B—C6B—C5B 126.03 (14)
O1A—C6A—C5A 111.45 (12) O1B—C6B—C5B 111.58 (12)
C12A—C7A—O1A 123.02 (12) C12B—C7B—O1B 122.74 (14)
C12A—C7A—C8A 125.29 (13) C12B—C7B—C8B 125.82 (14)
O1A—C7A—C8A 111.68 (12) O1B—C7B—C8B 111.44 (12)
C7A—C8A—C9A 111.83 (12) C7B—C8B—C9B 112.29 (12)
C7A—C8A—H8AA 109.3 C7B—C8B—H8BA 109.1
C9A—C8A—H8AA 109.3 C9B—C8B—H8BA 109.1
C7A—C8A—H8AB 109.3 C7B—C8B—H8BB 109.1
C9A—C8A—H8AB 109.3 C9B—C8B—H8BB 109.1
H8AA—C8A—H8AB 107.9 H8BA—C8B—H8BB 107.9
C10A—C9A—C25A 109.77 (13) C25B—C9B—C8B 109.18 (13)
C10A—C9A—C24A 110.97 (13) C25B—C9B—C24B 109.33 (13)
C25A—C9A—C24A 108.99 (13) C8B—C9B—C24B 110.65 (13)
C10A—C9A—C8A 107.73 (12) C25B—C9B—C10B 110.53 (13)
C25A—C9A—C8A 109.27 (12) C8B—C9B—C10B 107.64 (12)
C24A—C9A—C8A 110.09 (13) C24B—C9B—C10B 109.49 (13)
C11A—C10A—C9A 115.36 (12) C11B—C10B—C9B 112.29 (12)
C11A—C10A—H10A 108.4 C11B—C10B—H10C 109.1
C9A—C10A—H10A 108.4 C9B—C10B—H10C 109.1
C11A—C10A—H10B 108.4 C11B—C10B—H10D 109.1
C9A—C10A—H10B 108.4 C9B—C10B—H10D 109.1
H10A—C10A—H10B 107.5 H10C—C10B—H10D 107.9
O3A—C11A—C12A 120.24 (13) O3B—C11B—C12B 120.67 (15)
O3A—C11A—C10A 121.64 (13) O3B—C11B—C10B 122.39 (14)
C12A—C11A—C10A 118.08 (13) C12B—C11B—C10B 116.91 (13)
C7A—C12A—C11A 118.74 (12) C7B—C12B—C11B 118.63 (14)
C7A—C12A—C13A 122.70 (13) C7B—C12B—C13B 122.00 (14)
C11A—C12A—C13A 118.55 (12) C11B—C12B—C13B 119.35 (13)
C1A—C13A—C12A 108.84 (11) C12B—C13B—C1B 108.13 (12)
C1A—C13A—C14A 109.54 (11) C12B—C13B—C14B 110.72 (12)
C12A—C13A—C14A 111.20 (11) C1B—C13B—C14B 112.55 (12)
C1A—C13A—H13A 109.1 C12B—C13B—H13B 108.4
C12A—C13A—H13A 109.1 C1B—C13B—H13B 108.4
C14A—C13A—H13A 109.1 C14B—C13B—H13B 108.4
C19A—C14A—C15A 119.31 (13) C19B—C14B—C15B 117.90 (13)
C19A—C14A—C13A 121.78 (13) C19B—C14B—C13B 121.54 (13)
C15A—C14A—C13A 118.89 (12) C15B—C14B—C13B 120.51 (12)
C16A—C15A—C14A 120.59 (13) C16B—C15B—C14B 121.26 (13)
C16A—C15A—H15A 119.7 C16B—C15B—H15B 119.4
C14A—C15A—H15A 119.7 C14B—C15B—H15B 119.4
O5A—C16A—C15A 124.95 (13) C15B—C16B—O5B 119.43 (13)
O5A—C16A—C17A 115.49 (13) C15B—C16B—C17B 120.43 (13)
C15A—C16A—C17A 119.56 (14) O5B—C16B—C17B 120.12 (13)
O4A—C17A—C18A 124.90 (13) O4B—C17B—C18B 125.18 (13)
O4A—C17A—C16A 115.18 (13) O4B—C17B—C16B 116.13 (12)
C18A—C17A—C16A 119.91 (13) C18B—C17B—C16B 118.69 (13)
C17A—C18A—C19A 119.82 (13) C19B—C18B—C17B 120.14 (13)
C17A—C18A—H18A 120.1 C19B—C18B—H18B 119.9
C19A—C18A—H18A 120.1 C17B—C18B—H18B 119.9
C14A—C19A—C18A 120.80 (14) C14B—C19B—C18B 121.58 (13)
C14A—C19A—H19A 119.6 C14B—C19B—H19B 119.2
C18A—C19A—H19A 119.6 C18B—C19B—H19B 119.2
O4A—C20A—H20A 109.5 O4B—C20B—H20D 109.5
O4A—C20A—H20B 109.5 O4B—C20B—H20E 109.5
H20A—C20A—H20B 109.5 H20D—C20B—H20E 109.5
O4A—C20A—H20C 109.5 O4B—C20B—H20F 109.5
H20A—C20A—H20C 109.5 H20D—C20B—H20F 109.5
H20B—C20A—H20C 109.5 H20E—C20B—H20F 109.5
O5A—C21A—H21A 109.5 O5B—C21B—H21D 109.5
O5A—C21A—H21B 109.5 O5B—C21B—H21E 109.5
H21A—C21A—H21B 109.5 H21D—C21B—H21E 109.5
O5A—C21A—H21C 109.5 O5B—C21B—H21F 109.5
H21A—C21A—H21C 109.5 H21D—C21B—H21F 109.5
H21B—C21A—H21C 109.5 H21E—C21B—H21F 109.5
C4A—C22A—H22A 109.5 C4B—C22B—H22D 109.5
C4A—C22A—H22B 109.5 C4B—C22B—H22E 109.5
H22A—C22A—H22B 109.5 H22D—C22B—H22E 109.5
C4A—C22A—H22C 109.5 C4B—C22B—H22F 109.5
H22A—C22A—H22C 109.5 H22D—C22B—H22F 109.5
H22B—C22A—H22C 109.5 H22E—C22B—H22F 109.5
C4A—C23A—H23A 109.5 C4B—C23B—H23D 109.5
C4A—C23A—H23B 109.5 C4B—C23B—H23E 109.5
H23A—C23A—H23B 109.5 H23D—C23B—H23E 109.5
C4A—C23A—H23C 109.5 C4B—C23B—H23G 109.5
H23A—C23A—H23C 109.5 H23D—C23B—H23G 109.5
H23B—C23A—H23C 109.5 H23E—C23B—H23G 109.5
C9A—C24A—H24A 109.5 C9B—C24B—H24D 109.5
C9A—C24A—H24B 109.5 C9B—C24B—H24G 109.5
H24A—C24A—H24B 109.5 H24D—C24B—H24G 109.5
C9A—C24A—H24C 109.5 C9B—C24B—H24E 109.5
H24A—C24A—H24C 109.5 H24D—C24B—H24E 109.5
H24B—C24A—H24C 109.5 H24G—C24B—H24E 109.5
C9A—C25A—H25A 109.5 C9B—C25B—H25D 109.5
C9A—C25A—H25B 109.5 C9B—C25B—H25E 109.5
H25A—C25A—H25B 109.5 H25D—C25B—H25E 109.5
C9A—C25A—H25C 109.5 C9B—C25B—H25F 109.5
H25A—C25A—H25C 109.5 H25D—C25B—H25F 109.5
H25B—C25A—H25C 109.5 H25E—C25B—H25F 109.5
C6A—C1A—C2A—O2A 174.17 (14) C6B—C1B—C2B—O2B 175.45 (14)
C13A—C1A—C2A—O2A −8.7 (2) C13B—C1B—C2B—O2B −3.2 (2)
C6A—C1A—C2A—C3A −3.5 (2) C6B—C1B—C2B—C3B −1.2 (2)
C13A—C1A—C2A—C3A 173.59 (13) C13B—C1B—C2B—C3B −179.85 (13)
O2A—C2A—C3A—C4A 156.42 (14) O2B—C2B—C3B—C4B 155.50 (14)
C1A—C2A—C3A—C4A −25.91 (19) C1B—C2B—C3B—C4B −27.87 (19)
C2A—C3A—C4A—C23A 169.58 (12) C2B—C3B—C4B—C23B 169.74 (13)
C2A—C3A—C4A—C22A −70.06 (16) C2B—C3B—C4B—C22B −69.55 (17)
C2A—C3A—C4A—C5A 50.97 (16) C2B—C3B—C4B—C5B 51.22 (17)
C23A—C4A—C5A—C6A −168.10 (13) C23B—C4B—C5B—C6B −166.56 (12)
C3A—C4A—C5A—C6A −48.84 (16) C22B—C4B—C5B—C6B 73.19 (16)
C22A—C4A—C5A—C6A 72.29 (16) C3B—C4B—C5B—C6B −47.44 (16)
C2A—C1A—C6A—O1A −175.93 (13) C2B—C1B—C6B—O1B −175.04 (13)
C13A—C1A—C6A—O1A 7.1 (2) C13B—C1B—C6B—O1B 3.6 (2)
C2A—C1A—C6A—C5A 4.7 (2) C2B—C1B—C6B—C5B 3.8 (2)
C13A—C1A—C6A—C5A −172.24 (13) C13B—C1B—C6B—C5B −177.60 (14)
C7A—O1A—C6A—C1A 5.0 (2) C7B—O1B—C6B—C1B 13.7 (2)
C7A—O1A—C6A—C5A −175.62 (12) C7B—O1B—C6B—C5B −165.29 (12)
C4A—C5A—C6A—C1A 23.1 (2) C4B—C5B—C6B—C1B 22.4 (2)
C4A—C5A—C6A—O1A −156.26 (12) C4B—C5B—C6B—O1B −158.66 (12)
C6A—O1A—C7A—C12A −6.9 (2) C6B—O1B—C7B—C12B −11.9 (2)
C6A—O1A—C7A—C8A 172.65 (12) C6B—O1B—C7B—C8B 167.92 (12)
C12A—C7A—C8A—C9A −27.0 (2) C12B—C7B—C8B—C9B −17.6 (2)
O1A—C7A—C8A—C9A 153.46 (12) O1B—C7B—C8B—C9B 162.62 (12)
C7A—C8A—C9A—C10A 50.47 (16) C7B—C8B—C9B—C25B 167.61 (12)
C7A—C8A—C9A—C25A 169.68 (13) C7B—C8B—C9B—C24B −72.01 (16)
C7A—C8A—C9A—C24A −70.65 (16) C7B—C8B—C9B—C10B 47.59 (16)
C25A—C9A—C10A—C11A −169.89 (13) C25B—C9B—C10B—C11B −177.59 (13)
C24A—C9A—C10A—C11A 69.58 (16) C8B—C9B—C10B—C11B −58.43 (16)
C8A—C9A—C10A—C11A −51.00 (16) C24B—C9B—C10B—C11B 61.91 (17)
C9A—C10A—C11A—O3A −156.99 (14) C9B—C10B—C11B—O3B −144.04 (15)
C9A—C10A—C11A—C12A 25.40 (19) C9B—C10B—C11B—C12B 38.10 (18)
O1A—C7A—C12A—C11A 178.17 (13) O1B—C7B—C12B—C11B 174.40 (12)
C8A—C7A—C12A—C11A −1.3 (2) C8B—C7B—C12B—C11B −5.4 (2)
O1A—C7A—C12A—C13A −3.2 (2) O1B—C7B—C12B—C13B −7.2 (2)
C8A—C7A—C12A—C13A 177.30 (14) C8B—C7B—C12B—C13B 173.05 (13)
O3A—C11A—C12A—C7A −175.04 (14) O3B—C11B—C12B—C7B 176.85 (14)
C10A—C11A—C12A—C7A 2.6 (2) C10B—C11B—C12B—C7B −5.3 (2)
O3A—C11A—C12A—C13A 6.3 (2) O3B—C11B—C12B—C13B −1.6 (2)
C10A—C11A—C12A—C13A −176.08 (13) C10B—C11B—C12B—C13B 176.29 (12)
C6A—C1A—C13A—C12A −15.15 (19) C7B—C12B—C13B—C1B 21.57 (18)
C2A—C1A—C13A—C12A 167.88 (12) C11B—C12B—C13B—C1B −160.03 (12)
C6A—C1A—C13A—C14A 106.62 (15) C7B—C12B—C13B—C14B −102.17 (16)
C2A—C1A—C13A—C14A −70.35 (16) C11B—C12B—C13B—C14B 76.23 (16)
C7A—C12A—C13A—C1A 13.27 (19) C6B—C1B—C13B—C12B −19.82 (19)
C11A—C12A—C13A—C1A −168.10 (12) C2B—C1B—C13B—C12B 158.77 (12)
C7A—C12A—C13A—C14A −107.48 (16) C6B—C1B—C13B—C14B 102.80 (16)
C11A—C12A—C13A—C14A 71.14 (16) C2B—C1B—C13B—C14B −78.61 (16)
C1A—C13A—C14A—C19A 120.01 (14) C12B—C13B—C14B—C19B −123.15 (15)
C12A—C13A—C14A—C19A −119.65 (14) C1B—C13B—C14B—C19B 115.69 (15)
C1A—C13A—C14A—C15A −58.45 (16) C12B—C13B—C14B—C15B 54.28 (18)
C12A—C13A—C14A—C15A 61.90 (16) C1B—C13B—C14B—C15B −66.88 (18)
C19A—C14A—C15A—C16A −0.4 (2) C19B—C14B—C15B—C16B 0.4 (2)
C13A—C14A—C15A—C16A 178.06 (12) C13B—C14B—C15B—C16B −177.13 (14)
C21A—O5A—C16A—C15A 4.6 (2) C14B—C15B—C16B—O5B −178.82 (14)
C21A—O5A—C16A—C17A −175.41 (14) C14B—C15B—C16B—C17B −0.2 (2)
C14A—C15A—C16A—O5A −179.48 (13) C21B—O5B—C16B—C15B −103.40 (16)
C14A—C15A—C16A—C17A 0.5 (2) C21B—O5B—C16B—C17B 78.01 (17)
C20A—O4A—C17A—C18A −1.9 (2) C20B—O4B—C17B—C18B −6.1 (2)
C20A—O4A—C17A—C16A 177.96 (12) C20B—O4B—C17B—C16B 173.68 (13)
O5A—C16A—C17A—O4A −0.01 (18) C15B—C16B—C17B—O4B −179.75 (14)
C15A—C16A—C17A—O4A 179.99 (12) O5B—C16B—C17B—O4B −1.2 (2)
O5A—C16A—C17A—C18A 179.82 (13) C15B—C16B—C17B—C18B 0.1 (2)
C15A—C16A—C17A—C18A −0.2 (2) O5B—C16B—C17B—C18B 178.66 (13)
O4A—C17A—C18A—C19A 179.58 (13) O4B—C17B—C18B—C19B 179.72 (14)
C16A—C17A—C18A—C19A −0.2 (2) C16B—C17B—C18B—C19B −0.1 (2)
C15A—C14A—C19A—C18A 0.0 (2) C15B—C14B—C19B—C18B −0.4 (2)
C13A—C14A—C19A—C18A −178.43 (12) C13B—C14B—C19B—C18B 177.09 (14)
C17A—C18A—C19A—C14A 0.3 (2) C17B—C18B—C19B—C14B 0.3 (2)