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. 2014 Jun 18;70(Pt 7):o791–o792. doi: 10.1107/S1600536814013294
x y z Uiso*/Ueq
O3 0.1263 (2) 0.73985 (17) 0.98682 (13) 0.0183 (4)
O1 0.4574 (2) 0.44644 (15) 0.75695 (12) 0.0149 (4)
O4 0.2751 (2) 0.84869 (17) 1.07429 (13) 0.0191 (4)
N1 0.7805 (3) 0.68215 (19) 0.92579 (15) 0.0127 (5)
O2 0.7739 (2) 0.38137 (18) 0.73785 (14) 0.0248 (5)
C3 0.4394 (3) 0.6641 (2) 0.85636 (17) 0.0111 (5)
H3 0.3408 0.6153 0.8619 0.013*
C4 0.4521 (3) 0.7191 (2) 0.95378 (17) 0.0115 (5)
C20 0.1965 (3) 1.0952 (2) 0.55708 (17) 0.0118 (5)
C14 0.3787 (3) 0.7763 (2) 0.77713 (17) 0.0107 (5)
C25 0.2602 (3) 1.0854 (2) 0.46091 (18) 0.0156 (5)
H25 0.3384 1.0037 0.4406 0.019*
C1 0.7918 (3) 0.5861 (2) 0.86166 (17) 0.0122 (5)
C18 0.2529 (3) 0.8563 (2) 0.61659 (18) 0.0141 (5)
H18 0.2085 0.8383 0.5569 0.017*
C5 0.6197 (3) 0.7352 (2) 0.98050 (17) 0.0112 (5)
C2 0.6293 (3) 0.5673 (2) 0.83079 (17) 0.0118 (5)
C7 0.2713 (3) 0.7670 (2) 1.00548 (18) 0.0136 (5)
C21 0.0758 (3) 1.2152 (2) 0.58379 (18) 0.0138 (5)
H21 0.0290 1.2231 0.6485 0.017*
C22 0.0236 (3) 1.3226 (2) 0.51739 (19) 0.0167 (6)
H22 −0.0601 1.4031 0.5365 0.020*
C17 0.2607 (3) 0.9835 (2) 0.63075 (17) 0.0107 (5)
C16 0.3313 (3) 1.0043 (2) 0.71876 (18) 0.0144 (5)
H16 0.3398 1.0897 0.7301 0.017*
C6 0.6587 (3) 0.8067 (2) 1.06364 (18) 0.0163 (6)
H6A 0.7962 0.7883 1.0711 0.025*
H6B 0.6033 0.7768 1.1233 0.025*
H6C 0.6021 0.9017 1.0508 0.025*
C19 0.3093 (3) 0.7555 (2) 0.68872 (18) 0.0139 (5)
H19 0.3004 0.6701 0.6776 0.017*
C15 0.3893 (3) 0.9031 (2) 0.78989 (18) 0.0125 (5)
H15 0.4374 0.9204 0.8488 0.015*
C13 0.9930 (3) 0.5135 (3) 0.8374 (2) 0.0204 (6)
H13A 1.0506 0.5717 0.7965 0.031*
H13B 0.9946 0.4360 0.8025 0.031*
H13C 1.0654 0.4853 0.8972 0.031*
C8 0.0994 (3) 0.9041 (2) 1.12773 (18) 0.0152 (5)
H8A 0.0608 0.8337 1.1667 0.018*
H8B −0.0041 0.9496 1.0825 0.018*
C10 0.6336 (3) 0.4574 (2) 0.77147 (18) 0.0146 (5)
C9 0.1404 (4) 1.0005 (2) 1.19262 (19) 0.0195 (6)
H9A 0.1838 1.0672 1.1532 0.029*
H9B 0.2395 0.9535 1.2386 0.029*
H9C 0.0246 1.0433 1.2283 0.029*
C23 0.0929 (4) 1.3132 (2) 0.42313 (19) 0.0177 (6)
H23 0.0603 1.3878 0.3781 0.021*
C24 0.2102 (3) 1.1940 (2) 0.39484 (19) 0.0168 (6)
H24 0.2564 1.1868 0.3300 0.020*
C11 0.4471 (4) 0.3420 (2) 0.69640 (18) 0.0176 (6)
H11A 0.3249 0.3213 0.7091 0.021*
H11B 0.5507 0.2616 0.7141 0.021*
C12 0.4631 (4) 0.3793 (3) 0.59046 (19) 0.0245 (6)
H12A 0.4454 0.3093 0.5526 0.037*
H12B 0.5891 0.3912 0.5763 0.037*
H12C 0.3654 0.4618 0.5733 0.037*
H1 0.893 (4) 0.696 (3) 0.9411 (19) 0.023 (8)*