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. 2015 Jun 10;71(Pt 7):o457–o458. doi: 10.1107/S2056989015010567
x y z Uiso*/Ueq
O3 0.99052 (16) 0.81354 (9) 0.86676 (4) 0.01947 (19)
O1 0.32116 (17) 0.81350 (9) 0.50886 (4) 0.0198 (2)
O2 0.26950 (17) 0.59230 (9) 0.54145 (4) 0.0211 (2)
N1 0.5440 (2) 0.79089 (11) 0.87047 (5) 0.0177 (2)
C7 0.7117 (2) 0.92262 (12) 0.58231 (6) 0.0155 (2)
C6 0.8900 (2) 0.89637 (12) 0.62993 (6) 0.0149 (2)
C14 0.9558 (2) 1.40385 (13) 0.81143 (6) 0.0189 (3)
C18 0.9906 (2) 1.00932 (12) 0.77808 (6) 0.0161 (2)
C19 0.7706 (2) 0.94294 (12) 0.80006 (6) 0.0172 (2)
C4 0.6528 (2) 0.65272 (13) 0.62212 (6) 0.0183 (2)
C16 1.2263 (2) 1.23586 (12) 0.74705 (6) 0.0152 (2)
C17 1.0186 (2) 1.10091 (12) 0.72506 (6) 0.0147 (2)
C2 0.5136 (2) 0.81316 (12) 0.55642 (6) 0.0154 (2)
C22 0.4536 (2) 0.77083 (13) 0.98764 (6) 0.0195 (3)
C8 1.1097 (2) 1.01511 (12) 0.66128 (6) 0.0150 (2)
C3 0.4823 (2) 0.68151 (12) 0.57583 (6) 0.0162 (2)
C5 0.8593 (2) 0.76299 (12) 0.64871 (6) 0.0174 (2)
C20 0.7803 (2) 0.84434 (12) 0.84886 (6) 0.0161 (2)
C21 0.5080 (2) 0.69546 (13) 0.91942 (6) 0.0182 (3)
C12 1.0346 (2) 1.41782 (12) 0.69190 (6) 0.0174 (2)
C13 1.0029 (3) 1.50233 (13) 0.75965 (6) 0.0192 (3)
C9 1.2170 (2) 1.11024 (13) 0.61238 (6) 0.0163 (2)
C11 1.2589 (2) 1.33271 (12) 0.69369 (6) 0.0153 (2)
C10 1.2835 (2) 1.24957 (13) 0.62661 (6) 0.0166 (2)
C23 0.3498 (3) 0.66495 (16) 1.03273 (7) 0.0293 (3)
C15 1.1801 (2) 1.32087 (13) 0.81431 (6) 0.0178 (2)
C1 0.1586 (2) 0.67567 (13) 0.49990 (6) 0.0186 (3)
C24 0.6991 (3) 0.87158 (15) 1.01892 (7) 0.0260 (3)
H16 1.402 (3) 1.2038 (15) 0.7515 (7) 0.016 (3)*
H11 1.426 (3) 1.4037 (15) 0.7059 (7) 0.015 (3)*
H17 0.844 (3) 1.1256 (15) 0.7138 (7) 0.015 (3)*
H21A 0.670 (3) 0.6545 (15) 0.9203 (7) 0.019 (4)*
H15A 1.345 (3) 1.3876 (15) 0.8301 (7) 0.017 (3)*
H4 0.633 (3) 0.5592 (17) 0.6353 (8) 0.026 (4)*
H9 1.238 (3) 1.0624 (15) 0.5679 (7) 0.018 (3)*
H5 0.986 (3) 0.7444 (16) 0.6806 (8) 0.023 (4)*
H12A 0.862 (3) 1.3498 (16) 0.6770 (7) 0.019 (4)*
H18 1.159 (3) 0.9934 (15) 0.7974 (7) 0.020 (4)*
H7 0.730 (3) 1.0156 (17) 0.5680 (7) 0.022 (4)*
H13A 1.169 (3) 1.5731 (16) 0.7739 (8) 0.023 (4)*
H14A 0.942 (3) 1.4596 (16) 0.8555 (8) 0.023 (4)*
H21B 0.354 (3) 0.6183 (16) 0.9026 (7) 0.022 (4)*
H1 0.399 (3) 0.8194 (16) 0.8567 (7) 0.022 (4)*
H1A 0.160 (3) 0.6301 (16) 0.4528 (8) 0.023 (4)*
H8 1.260 (3) 0.9720 (15) 0.6758 (7) 0.019 (4)*
H12B 1.068 (3) 1.4823 (16) 0.6573 (8) 0.021 (4)*
H14B 0.780 (3) 1.3357 (16) 0.7997 (8) 0.023 (4)*
H1B −0.020 (3) 0.6828 (15) 0.5137 (7) 0.021 (4)*
H22 0.313 (3) 0.8255 (15) 0.9805 (7) 0.018 (3)*
H10 1.350 (3) 1.3042 (16) 0.5915 (8) 0.023 (4)*
H15B 1.146 (3) 1.2548 (17) 0.8489 (8) 0.025 (4)*
H13B 0.851 (3) 1.5540 (17) 0.7578 (8) 0.026 (4)*
H24A 0.841 (3) 0.8171 (19) 1.0287 (9) 0.036 (5)*
H24B 0.660 (3) 0.9237 (19) 1.0614 (9) 0.037 (5)*
H23A 0.483 (4) 0.609 (2) 1.0412 (9) 0.041 (5)*
H19 0.599 (3) 0.9535 (17) 0.7834 (8) 0.029 (4)*
H24C 0.775 (3) 0.9404 (19) 0.9890 (9) 0.036 (5)*
H23B 0.304 (4) 0.717 (2) 1.0772 (10) 0.043 (5)*
H23C 0.187 (4) 0.601 (2) 1.0128 (9) 0.043 (5)*