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. 2015 Aug 6;71(Pt 9):o637–o638. doi: 10.1107/S2056989015014322
x y z Uiso*/Ueq
C1 0.3136 (3) −0.1616 (2) 1.04240 (18) 0.0530 (8)
C2 0.2949 (3) −0.1496 (3) 1.1254 (2) 0.0697 (10)
H2 0.2774 −0.1995 1.1581 0.084*
C3 0.3023 (3) −0.0642 (3) 1.1581 (2) 0.0732 (12)
H3 0.2899 −0.0553 1.2135 0.088*
C4 0.3282 (3) 0.0083 (3) 1.1096 (2) 0.0662 (10)
H4 0.3338 0.0667 1.1321 0.079*
C5 0.3459 (2) −0.0043 (2) 1.02794 (19) 0.0500 (7)
H5 0.3620 0.0464 0.9958 0.060*
C6 0.3408 (2) −0.0892 (2) 0.99204 (15) 0.0375 (6)
C7 0.3671 (2) −0.1012 (2) 0.90297 (15) 0.0420 (6)
H7A 0.4083 −0.0471 0.8845 0.050*
H7B 0.4204 −0.1529 0.8978 0.050*
C8 0.1865 (2) −0.04007 (18) 0.84115 (14) 0.0317 (5)
C9 0.0865 (2) −0.0367 (2) 0.88989 (15) 0.0419 (6)
H9 0.0759 −0.0815 0.9294 0.050*
C10 0.0050 (2) 0.0319 (2) 0.87954 (17) 0.0460 (7)
H10 −0.0599 0.0345 0.9131 0.055*
C11 0.0178 (2) 0.0992 (2) 0.81855 (16) 0.0399 (6)
C12 −0.0668 (3) 0.1700 (3) 0.80425 (19) 0.0544 (8)
H12 −0.1330 0.1731 0.8364 0.065*
C13 −0.0536 (3) 0.2330 (3) 0.7451 (2) 0.0618 (9)
H13 −0.1108 0.2786 0.7367 0.074*
C14 0.0464 (3) 0.2302 (2) 0.6959 (2) 0.0574 (8)
H14 0.0555 0.2741 0.6554 0.069*
C15 0.1301 (2) 0.1626 (2) 0.70786 (16) 0.0459 (7)
H15 0.1953 0.1607 0.6746 0.055*
C16 0.1197 (2) 0.09592 (18) 0.76940 (15) 0.0338 (6)
C17 0.20583 (19) 0.02472 (17) 0.78207 (13) 0.0297 (5)
C18 0.3126 (2) 0.02111 (17) 0.73118 (14) 0.0306 (5)
C19 0.4102 (2) 0.08223 (17) 0.74544 (14) 0.0312 (5)
C20 0.4120 (2) 0.14841 (19) 0.80899 (16) 0.0394 (6)
H20 0.3495 0.1504 0.8446 0.047*
C21 0.5042 (3) 0.2092 (2) 0.81876 (19) 0.0498 (7)
H21 0.5031 0.2525 0.8604 0.060*
C22 0.6005 (3) 0.2072 (2) 0.76682 (19) 0.0514 (8)
H22 0.6619 0.2498 0.7734 0.062*
C23 0.6040 (2) 0.1433 (2) 0.70721 (19) 0.0467 (7)
H23 0.6694 0.1412 0.6741 0.056*
C24 0.5096 (2) 0.07932 (18) 0.69410 (15) 0.0352 (6)
C25 0.5086 (2) 0.0147 (2) 0.62965 (16) 0.0415 (6)
H25 0.5737 0.0111 0.5964 0.050*
C26 0.4138 (2) −0.0424 (2) 0.61550 (15) 0.0405 (6)
H26 0.4142 −0.0840 0.5725 0.049*
C27 0.3146 (2) −0.03851 (18) 0.66597 (14) 0.0329 (5)
C28 0.2062 (3) −0.15760 (19) 0.59124 (15) 0.0439 (6)
H28A 0.1470 −0.2029 0.6049 0.053*
H28B 0.2826 −0.1886 0.5894 0.053*
C29 0.1738 (2) −0.1202 (2) 0.50774 (15) 0.0439 (7)
C30 0.1581 (3) −0.0283 (3) 0.4912 (2) 0.0627 (9)
H30 0.1699 0.0149 0.5326 0.075*
C31 0.1242 (3) −0.0006 (4) 0.4110 (3) 0.0882 (14)
H31 0.1137 0.0613 0.3996 0.106*
C32 0.1067 (4) −0.0627 (5) 0.3502 (3) 0.1013 (19)
H32 0.0845 −0.0429 0.2975 0.122*
C33 0.1212 (4) −0.1552 (5) 0.3653 (2) 0.0944 (17)
H33 0.1088 −0.1978 0.3234 0.113*
C34 0.1541 (3) −0.1829 (3) 0.44307 (18) 0.0650 (10)
O1 0.26269 (16) −0.11565 (12) 0.85074 (10) 0.0398 (4)
O2 0.21372 (16) −0.09115 (14) 0.65440 (10) 0.0453 (5)
Cl1 0.30029 (15) −0.27265 (8) 1.00356 (7) 0.1030 (4)
Cl2 0.16806 (12) −0.29928 (8) 0.46325 (7) 0.0972 (4)