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. 2018 Aug 21;74(Pt 9):1272–1275. doi: 10.1107/S2056989018011532
x y z Uiso*/Ueq
N1 0.49910 (5) 0.74057 (9) 0.26760 (10) 0.0280 (3)
N2 0.67745 (5) 0.83351 (10) 0.29072 (11) 0.0346 (3)
N3 0.62263 (6) 0.61415 (10) 0.24069 (12) 0.0376 (3)
N4 0.35033 (6) 0.75276 (12) 0.29544 (15) 0.0533 (4)
C1 0.55555 (6) 0.77161 (10) 0.26223 (11) 0.0259 (3)
C2 0.45846 (6) 0.81336 (11) 0.27582 (12) 0.0297 (3)
C3 0.47099 (7) 0.91693 (11) 0.27679 (13) 0.0338 (3)
H3 0.4402 0.9658 0.2815 0.041*
C4 0.52920 (6) 0.94626 (11) 0.27070 (12) 0.0322 (3)
H4 0.5391 1.0165 0.2714 0.039*
C5 0.57391 (6) 0.87387 (11) 0.26354 (11) 0.0271 (3)
C6 0.63739 (6) 0.90300 (11) 0.25798 (12) 0.0285 (3)
C7 0.65339 (7) 0.99737 (11) 0.22031 (12) 0.0332 (3)
H7 0.6239 1.0453 0.1983 0.040*
C8 0.71324 (7) 1.01972 (12) 0.21571 (13) 0.0363 (4)
H8 0.7255 1.0838 0.1913 0.044*
C9 0.75478 (7) 0.94792 (12) 0.24703 (13) 0.0361 (4)
H9 0.7961 0.9608 0.2433 0.043*
C10 0.73499 (7) 0.85668 (12) 0.28397 (14) 0.0376 (4)
H10 0.7639 0.8075 0.3059 0.045*
C11 0.59619 (6) 0.68697 (11) 0.25145 (12) 0.0282 (3)
C12 0.39805 (7) 0.77851 (12) 0.28566 (14) 0.0374 (4)
N1B 1.00098 (5) 0.66865 (10) 0.25099 (11) 0.0328 (3)
N2B 0.82233 (6) 0.58423 (10) 0.23869 (13) 0.0426 (4)
N3B 0.87912 (6) 0.79976 (11) 0.21706 (16) 0.0595 (5)
N4B 1.15222 (6) 0.65194 (11) 0.28236 (15) 0.0522 (4)
C1B 0.94394 (6) 0.63854 (11) 0.24219 (12) 0.0302 (3)
C2B 1.04188 (7) 0.59585 (12) 0.26116 (14) 0.0368 (4)
C3B 1.02892 (7) 0.49305 (13) 0.26150 (17) 0.0497 (5)
H3B 1.0597 0.4437 0.2677 0.060*
C4B 0.97019 (7) 0.46449 (13) 0.25256 (16) 0.0477 (5)
H4B 0.9602 0.3943 0.2525 0.057*
C5B 0.92501 (7) 0.53684 (11) 0.24356 (13) 0.0331 (3)
C6B 0.86123 (7) 0.50763 (11) 0.23825 (12) 0.0325 (3)
C7B 0.84293 (7) 0.40674 (12) 0.23460 (13) 0.0364 (4)
H7B 0.8713 0.3534 0.2336 0.044*
C8B 0.78279 (7) 0.38510 (12) 0.23251 (13) 0.0381 (4)
H8B 0.7694 0.3166 0.2310 0.046*
C9B 0.74263 (7) 0.46356 (13) 0.23266 (13) 0.0372 (4)
H9B 0.7011 0.4507 0.2310 0.045*
C10B 0.76432 (7) 0.56175 (13) 0.23535 (15) 0.0421 (4)
H10B 0.7366 0.6162 0.2348 0.051*
C11B 0.90390 (7) 0.72465 (12) 0.22910 (15) 0.0396 (4)
C12B 1.10337 (7) 0.62904 (12) 0.27276 (15) 0.0408 (4)
N1C 0.25051 (5) 0.53772 (10) 0.02073 (10) 0.0328 (3)
N2C 0.07122 (6) 0.62043 (11) −0.00555 (15) 0.0522 (4)
N3C 0.13060 (6) 0.40241 (12) 0.02803 (17) 0.0616 (5)
N4C 0.40066 (6) 0.55328 (12) 0.01479 (14) 0.0520 (4)
C1C 0.19315 (6) 0.56632 (11) 0.02102 (12) 0.0307 (3)
C2C 0.29079 (7) 0.61155 (12) 0.02084 (13) 0.0340 (3)
C3C 0.27729 (7) 0.71403 (13) 0.02209 (15) 0.0429 (4)
H3C 0.3078 0.7639 0.0238 0.051*
C4C 0.21814 (7) 0.74172 (13) 0.02080 (15) 0.0422 (4)
H4C 0.2077 0.8116 0.0206 0.051*
C5C 0.17368 (7) 0.66812 (12) 0.01976 (12) 0.0325 (3)
C6C 0.10958 (7) 0.69596 (12) 0.01452 (12) 0.0322 (3)
C7C 0.09100 (7) 0.79532 (13) 0.02696 (15) 0.0420 (4)
H7C 0.1192 0.8479 0.0415 0.050*
C8C 0.03076 (7) 0.81675 (13) 0.01785 (15) 0.0445 (4)
H8C 0.0170 0.8844 0.0257 0.053*
C9C −0.00892 (7) 0.73939 (13) −0.00260 (14) 0.0402 (4)
H9C −0.0505 0.7522 −0.0094 0.048*
C10C 0.01307 (7) 0.64306 (14) −0.01301 (18) 0.0527 (5)
H10C −0.0145 0.5893 −0.0263 0.063*
C11C 0.15421 (7) 0.47900 (12) 0.02419 (15) 0.0400 (4)
C12C 0.35214 (7) 0.57814 (12) 0.01809 (14) 0.0396 (4)
N1D 0.25087 (5) 0.03678 (9) 0.02181 (10) 0.0312 (3)
N2D 0.42958 (5) 0.11479 (9) −0.00983 (11) 0.0328 (3)
N3D 0.37265 (6) −0.09144 (10) 0.07125 (13) 0.0432 (4)
N4D 0.10036 (6) 0.04871 (12) 0.00311 (15) 0.0545 (5)
C1D 0.30810 (6) 0.06558 (11) 0.02102 (11) 0.0274 (3)
C2D 0.21010 (6) 0.10823 (12) −0.00026 (12) 0.0325 (3)
C3D 0.22322 (7) 0.20789 (12) −0.02331 (14) 0.0383 (4)
H3D 0.1925 0.2561 −0.0382 0.046*
C4D 0.28232 (7) 0.23508 (12) −0.02402 (13) 0.0360 (4)
H4D 0.2926 0.3030 −0.0398 0.043*
C5D 0.32714 (6) 0.16403 (11) −0.00185 (11) 0.0281 (3)
C6D 0.39103 (6) 0.19201 (11) −0.00522 (11) 0.0274 (3)
C7D 0.40905 (7) 0.29331 (11) −0.00522 (12) 0.0312 (3)
H7D 0.3808 0.3464 −0.0003 0.037*
C8D 0.46879 (7) 0.31533 (12) −0.01251 (12) 0.0336 (3)
H8D 0.4821 0.3838 −0.0135 0.040*
C9D 0.50870 (7) 0.23649 (12) −0.01824 (12) 0.0335 (3)
H9D 0.5499 0.2495 −0.0241 0.040*
C10D 0.48740 (7) 0.13777 (12) −0.01523 (13) 0.0354 (4)
H10D 0.5152 0.0835 −0.0171 0.042*
C11D 0.34799 (6) −0.01830 (11) 0.04801 (12) 0.0316 (3)
C12D 0.14866 (7) 0.07449 (13) 0.00158 (15) 0.0408 (4)