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. 2015 Jul 31;71(Pt 8):o625–o626. doi: 10.1107/S205698901501395X
x y z Uiso*/Ueq
C1 1.1431 (5) 0.8972 (6) 0.9253 (3) 0.0153 (10)
N2 1.1842 (4) 0.7850 (5) 0.8817 (2) 0.0163 (9)
C3 1.1862 (5) 0.8314 (6) 0.8053 (3) 0.0149 (10)
C4 1.1266 (5) 0.9782 (6) 0.8025 (3) 0.0143 (10)
C5 1.0975 (5) 1.0166 (5) 0.8717 (3) 0.0135 (9)
C6 1.0311 (5) 1.1589 (6) 0.8845 (3) 0.0159 (10)
H6 1.0984 1.2269 0.9115 0.019*
C7 0.9703 (5) 1.2250 (6) 0.8039 (3) 0.0167 (10)
C8 1.0752 (5) 1.2122 (5) 0.7508 (3) 0.0144 (10)
H8 1.1580 1.2596 0.7765 0.017*
C9 1.0343 (5) 1.2809 (6) 0.6718 (3) 0.0194 (11)
H9A 1.0006 1.3791 0.6779 0.023*
H9B 0.9620 1.2237 0.6426 0.023*
C10 1.1482 (5) 1.2899 (7) 0.6264 (3) 0.0231 (11)
H10A 1.1855 1.1924 0.6231 0.028*
H10B 1.2183 1.3519 0.6543 0.028*
C11 1.1059 (7) 1.3504 (8) 0.5454 (4) 0.0349 (15)
H11A 1.0380 1.2864 0.5171 0.042*
H11B 1.0657 1.4463 0.5487 0.042*
C12 1.2195 (8) 1.3646 (9) 0.5007 (4) 0.0433 (19)
H12A 1.2627 1.2697 0.4998 0.052*
H12B 1.2852 1.4326 0.5278 0.052*
C13 1.1771 (12) 1.4175 (13) 0.4187 (5) 0.080 (4)
H13A 1.1119 1.3511 0.3913 0.120*
H13B 1.2538 1.4211 0.3936 0.120*
H13C 1.1387 1.5138 0.4189 0.120*
C14 1.2311 (5) 0.7567 (6) 0.7508 (3) 0.0213 (11)
H14A 1.2660 0.6629 0.7611 0.026*
H14B 1.2277 0.7979 0.7021 0.026*
C15 0.8381 (5) 1.1508 (6) 0.7705 (3) 0.0193 (10)
H15A 0.8540 1.0495 0.7600 0.029*
H15B 0.7986 1.1992 0.7235 0.029*
H15C 0.7782 1.1570 0.8070 0.029*
C16 1.2068 (6) 0.5407 (6) 0.9208 (3) 0.0203 (11)
H16A 1.1648 0.5103 0.8701 0.031*
H16B 1.1400 0.5521 0.9528 0.031*
H16C 1.2706 0.4678 0.9429 0.031*
O1 1.1050 (4) 1.0568 (4) 0.73717 (19) 0.0172 (7)
O2 0.9541 (4) 1.3789 (4) 0.8112 (2) 0.0183 (8)
H2 0.8942 1.3951 0.8359 0.027*
O3 0.9324 (4) 1.1327 (4) 0.9312 (2) 0.0213 (8)
H3 0.9060 1.2114 0.9456 0.032*
O4 1.1447 (4) 0.8881 (4) 0.99543 (19) 0.0183 (8)
O5 1.2747 (4) 0.6794 (4) 0.9159 (2) 0.0194 (8)
C1A 0.4815 (5) 1.9716 (6) 0.8996 (3) 0.0156 (10)
N2A 0.4361 (4) 2.0638 (5) 0.8379 (2) 0.0174 (9)
C3A 0.4890 (5) 2.0271 (6) 0.7717 (3) 0.0159 (10)
C4A 0.5564 (5) 1.8865 (6) 0.7938 (3) 0.0136 (9)
C5A 0.5529 (5) 1.8520 (5) 0.8678 (3) 0.0147 (10)
C6A 0.6116 (5) 1.7116 (5) 0.9032 (3) 0.0140 (10)
H6A 0.5393 1.6398 0.9020 0.017*
C7A 0.7097 (5) 1.6545 (5) 0.8525 (3) 0.0126 (9)
C8A 0.6355 (5) 1.6563 (5) 0.7676 (3) 0.0140 (10)
H8A 0.5498 1.6055 0.7656 0.017*
C9A 0.7086 (5) 1.5840 (6) 0.7096 (3) 0.0191 (11)
H9AA 0.7419 1.4891 0.7296 0.023*
H9AB 0.7853 1.6439 0.7038 0.023*
C10A 0.6212 (6) 1.5621 (7) 0.6302 (3) 0.0223 (11)
H10C 0.5384 1.5139 0.6364 0.027*
H10D 0.5986 1.6572 0.6066 0.027*
C11A 0.6921 (6) 1.4697 (7) 0.5771 (3) 0.0270 (13)
H11C 0.7732 1.5202 0.5699 0.032*
H11D 0.7183 1.3768 0.6023 0.032*
C12A 0.6074 (6) 1.4392 (8) 0.4983 (3) 0.0295 (14)
H12C 0.5805 1.5318 0.4730 0.035*
H12D 0.5269 1.3871 0.5051 0.035*
C13A 0.6823 (7) 1.3483 (8) 0.4466 (3) 0.0344 (15)
H13D 0.6244 1.3297 0.3982 0.052*
H13E 0.7096 1.2566 0.4715 0.052*
H13F 0.7599 1.4013 0.4377 0.052*
C14A 0.4806 (5) 2.1038 (6) 0.7075 (3) 0.0210 (11)
H14C 0.4356 2.1932 0.7026 0.025*
H14D 0.5198 2.0685 0.6671 0.025*
C15A 0.8399 (5) 1.7422 (6) 0.8646 (3) 0.0160 (10)
H15D 0.8201 1.8444 0.8550 0.024*
H15E 0.8958 1.7077 0.8296 0.024*
H15F 0.8858 1.7298 0.9168 0.024*
C16A 0.5035 (6) 2.3002 (6) 0.8752 (4) 0.0273 (12)
H16D 0.5616 2.2998 0.8376 0.041*
H16E 0.5520 2.2663 0.9238 0.041*
H16F 0.4719 2.3983 0.8809 0.041*
O1A 0.6069 (4) 1.8064 (4) 0.74144 (18) 0.0166 (7)
O2A 0.7369 (3) 1.5024 (4) 0.86892 (19) 0.0145 (7)
H2A 0.7410 1.4877 0.9152 0.022*
O3A 0.6775 (3) 1.7297 (4) 0.98091 (18) 0.0145 (7)
H3A 0.6363 1.6850 1.0097 0.022*
O4A 0.4586 (4) 1.9909 (4) 0.9650 (2) 0.0179 (7)
O5A 0.3911 (4) 2.2045 (4) 0.8499 (2) 0.0186 (8)