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. 2011 Sep 14;67(Pt 10):m1359–m1360. doi: 10.1107/S1600536811036129
x y z Uiso*/Ueq
Ce1 0.454529 (15) −0.002855 (6) 0.837971 (13) 0.03007 (6)
C1 0.3410 (3) −0.08904 (12) 0.9639 (3) 0.0374 (7)
C2 0.2597 (3) −0.13715 (14) 0.9555 (3) 0.0478 (9)
H2A 0.3232 −0.1649 0.9966 0.057*
C3 0.1761 (4) −0.12764 (17) 1.0088 (4) 0.0729 (12)
H3A 0.1256 −0.1581 1.0029 0.109*
H3B 0.1155 −0.0995 0.9720 0.109*
H3C 0.2338 −0.1192 1.0855 0.109*
C4 0.2261 (4) −0.18348 (14) 0.7942 (3) 0.0583 (10)
C5 0.3567 (4) −0.18465 (15) 0.8199 (4) 0.0686 (12)
H5A 0.4220 −0.1670 0.8815 0.082*
C6 0.3915 (6) −0.21221 (19) 0.7536 (6) 0.1023 (18)
H6A 0.4806 −0.2133 0.7706 0.123*
C7 0.2961 (9) −0.2377 (2) 0.6639 (6) 0.125 (2)
H7A 0.3201 −0.2559 0.6191 0.150*
C8 0.1657 (8) −0.2371 (2) 0.6384 (5) 0.116 (2)
H8A 0.1013 −0.2552 0.5772 0.139*
C9 0.1294 (5) −0.20981 (16) 0.7028 (4) 0.0821 (14)
H9A 0.0400 −0.2090 0.6852 0.098*
C10 0.6081 (3) −0.06332 (14) 0.7670 (3) 0.0399 (8)
C11 0.6786 (3) −0.09362 (14) 0.7173 (3) 0.0515 (9)
H11A 0.6990 −0.0706 0.6720 0.062*
C12 0.8082 (4) −0.11664 (17) 0.8094 (3) 0.0729 (13)
H12A 0.8522 −0.1357 0.7777 0.109*
H12B 0.7882 −0.1393 0.8535 0.109*
H12C 0.8661 −0.0895 0.8551 0.109*
C13 0.4214 (4) −0.16838 (16) 0.4901 (3) 0.0633 (11)
H13A 0.4448 −0.2008 0.5231 0.076*
C14 0.3159 (4) −0.16336 (19) 0.3840 (4) 0.0755 (13)
H14A 0.2681 −0.1924 0.3453 0.091*
C15 0.2803 (4) −0.1160 (2) 0.3347 (3) 0.0738 (13)
H15A 0.2090 −0.1127 0.2626 0.089*
C16 0.3503 (4) −0.07341 (18) 0.3922 (3) 0.0683 (12)
H16A 0.3262 −0.0412 0.3587 0.082*
C17 0.4570 (4) −0.07747 (16) 0.4999 (3) 0.0567 (10)
H17A 0.5033 −0.0482 0.5391 0.068*
C18 0.4929 (3) −0.12559 (15) 0.5477 (3) 0.0500 (9)
C19 0.2664 (3) 0.04852 (11) 0.8978 (3) 0.0323 (7)
C20 0.1689 (3) 0.07364 (13) 0.9267 (3) 0.0417 (8)
H20A 0.2187 0.0900 0.9997 0.050*
C21 0.0748 (4) 0.03318 (15) 0.9278 (3) 0.0596 (10)
H21A 0.0131 0.0491 0.9461 0.089*
H21B 0.1259 0.0073 0.9820 0.089*
H21C 0.0256 0.0175 0.8560 0.089*
C22 0.1500 (3) 0.15388 (14) 0.8359 (3) 0.0544 (10)
C23 0.2812 (4) 0.16723 (16) 0.9091 (4) 0.0943 (17)
H23A 0.3347 0.1461 0.9693 0.113*
C24 0.3328 (5) 0.21212 (19) 0.8924 (5) 0.123 (2)
H24A 0.4208 0.2215 0.9429 0.147*
C25 0.2580 (6) 0.24283 (19) 0.8041 (5) 0.110 (2)
H25A 0.2947 0.2727 0.7934 0.132*
C26 0.1280 (6) 0.22961 (18) 0.7308 (4) 0.0967 (17)
H26A 0.0758 0.2506 0.6700 0.116*
C27 0.0741 (4) 0.18526 (16) 0.7468 (4) 0.0731 (12)
H27A −0.0146 0.1765 0.6968 0.088*
C28 0.2365 (3) −0.07862 (13) 0.6103 (3) 0.0436 (8)
H28A 0.2803 −0.1034 0.6651 0.052*
C29 0.1295 (3) −0.09414 (14) 0.5082 (3) 0.0488 (9)
H29A 0.1039 −0.1286 0.4952 0.059*
C30 0.0633 (3) −0.05827 (14) 0.4280 (3) 0.0472 (9)
H30A −0.0096 −0.0679 0.3602 0.057*
C31 0.0403 (3) 0.03314 (15) 0.3681 (3) 0.0497 (9)
H31A −0.0338 0.0252 0.2995 0.060*
C32 0.0839 (3) 0.08178 (15) 0.3900 (3) 0.0528 (9)
H32A 0.0386 0.1071 0.3368 0.063*
C33 0.2500 (4) 0.14576 (15) 0.5189 (3) 0.0562 (10)
H33A 0.2098 0.1719 0.4669 0.067*
C34 0.3588 (4) 0.15641 (14) 0.6195 (3) 0.0603 (10)
H34A 0.3938 0.1896 0.6368 0.072*
C35 0.4167 (3) 0.11648 (13) 0.6961 (3) 0.0489 (9)
H35A 0.4909 0.1241 0.7647 0.059*
C36 0.2641 (3) 0.05794 (12) 0.5758 (2) 0.0352 (7)
C37 0.1985 (3) 0.09594 (13) 0.4935 (3) 0.0425 (8)
C38 0.2155 (3) 0.00588 (12) 0.5525 (2) 0.0343 (7)
C39 0.1048 (3) −0.00695 (14) 0.4475 (2) 0.0412 (8)
N1 0.3723 (2) 0.06856 (10) 0.6769 (2) 0.0371 (6)
N2 0.2785 (2) −0.03027 (10) 0.6328 (2) 0.0371 (6)
O1 0.1737 (2) −0.15482 (10) 0.8471 (2) 0.0636 (7)
O9 0.0877 (2) 0.11100 (9) 0.8460 (2) 0.0515 (6)
O5 0.6289 (2) −0.01570 (9) 0.7804 (2) 0.0521 (6)
O4 0.5362 (2) −0.08674 (8) 0.79660 (18) 0.0450 (6)
O7 0.23777 (19) 0.04315 (8) 0.80004 (17) 0.0396 (5)
O3 0.3308 (2) −0.06985 (8) 0.87816 (18) 0.0412 (5)
O2 0.4146 (2) −0.07312 (8) 1.06170 (18) 0.0463 (6)
O8 0.37595 (19) 0.03220 (8) 0.97824 (16) 0.0393 (5)
O6 0.6000 (2) −0.13560 (9) 0.6518 (2) 0.0603 (7)