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. 2018 Nov 22;74(Pt 12):1872–1877. doi: 10.1107/S2056989018016316
x y z Uiso*/Ueq
C1 0.56797 (16) 0.2277 (3) 0.75859 (13) 0.0451 (5)
C2 0.5020 (3) 0.0866 (3) 0.79457 (17) 0.0744 (8)
H2A 0.433239 0.115432 0.786234 0.112*
H2B 0.515438 0.071710 0.856159 0.112*
H2C 0.516230 −0.015436 0.763805 0.112*
C3 0.67756 (19) 0.1817 (3) 0.77738 (16) 0.0650 (7)
H3A 0.719548 0.274519 0.762469 0.098*
H3B 0.695707 0.086163 0.742724 0.098*
H3C 0.685618 0.155720 0.838652 0.098*
C4 0.55349 (14) 0.2495 (2) 0.65879 (12) 0.0398 (4)
C5 0.62192 (14) 0.3416 (3) 0.61068 (13) 0.0425 (5)
H5 0.674345 0.392670 0.640554 0.051*
C6 0.61570 (15) 0.3610 (3) 0.51995 (13) 0.0442 (5)
C7 0.53582 (16) 0.2880 (3) 0.47460 (13) 0.0477 (5)
C8 0.46395 (15) 0.2017 (3) 0.52114 (14) 0.0470 (5)
C9 0.47444 (15) 0.1818 (3) 0.61219 (14) 0.0458 (5)
H9 0.426579 0.120883 0.642407 0.055*
C10 0.69131 (19) 0.4569 (3) 0.47277 (17) 0.0598 (6)
H10 0.683 (2) 0.462 (3) 0.4070 (19) 0.073 (8)*
C11 0.37722 (19) 0.1293 (4) 0.4765 (2) 0.0669 (7)
H11 0.324 (2) 0.068 (3) 0.5214 (17) 0.065 (7)*
C12 0.53648 (14) 0.3898 (3) 0.80494 (12) 0.0400 (5)
C13 0.44519 (15) 0.4626 (3) 0.78465 (13) 0.0449 (5)
H13 0.407023 0.415913 0.739712 0.054*
C14 0.40839 (15) 0.6016 (3) 0.82828 (13) 0.0460 (5)
C15 0.46436 (15) 0.6737 (3) 0.89671 (13) 0.0421 (5)
C16 0.55783 (14) 0.6066 (3) 0.91700 (13) 0.0426 (5)
C17 0.59223 (14) 0.4663 (3) 0.87119 (12) 0.0422 (5)
H17 0.654434 0.422634 0.885479 0.051*
C18 0.31154 (19) 0.6673 (4) 0.80118 (17) 0.0662 (7)
H18 0.277 (2) 0.595 (4) 0.755 (2) 0.087 (9)*
C19 0.61762 (17) 0.6814 (3) 0.98792 (16) 0.0571 (6)
H19 0.5921 (19) 0.790 (3) 1.0142 (17) 0.067 (7)*
O1 0.36389 (14) 0.1404 (3) 0.39694 (14) 0.0851 (7)
O2 0.53075 (14) 0.3050 (3) 0.38619 (10) 0.0706 (5)
H2 0.479652 0.260776 0.367754 0.106*
O3 0.75935 (14) 0.5285 (3) 0.50684 (12) 0.0779 (6)
O4 0.27133 (14) 0.7886 (3) 0.83289 (13) 0.0869 (7)
O5 0.43151 (13) 0.8023 (2) 0.94557 (11) 0.0565 (4)
H5A 0.366 (3) 0.834 (4) 0.932 (2) 0.096 (10)*
O6 0.69410 (13) 0.6221 (3) 1.01611 (13) 0.0749 (6)