Skip to main content
. 2012 Mar 14;68(Pt 4):o1063. doi: 10.1107/S1600536812010495
x y z Uiso*/Ueq
Cl1A 0.02376 (10) 0.84221 (5) −0.37777 (6) 0.0695 (3)
N1A 0.1625 (3) 0.86014 (14) 0.13741 (18) 0.0394 (5)
C1A 0.6616 (3) 0.87416 (14) 0.2364 (2) 0.0361 (6)
C3A 0.3290 (3) 0.86484 (13) 0.20386 (19) 0.0307 (5)
O1A 0.8071 (2) 0.88210 (13) 0.19728 (17) 0.0576 (6)
C6A 0.6634 (3) 0.87541 (16) 0.3650 (2) 0.0418 (6)
H61A 0.7716 0.9066 0.4022 0.050*
H62A 0.6712 0.8154 0.3938 0.050*
C4A 0.3259 (3) 0.87268 (15) 0.3326 (2) 0.0400 (6)
H42A 0.3182 0.8142 0.3649 0.048*
H41A 0.2170 0.9048 0.3440 0.048*
C12A 0.0607 (3) 0.84585 (15) −0.2259 (2) 0.0404 (6)
C13A 0.1651 (3) 0.78103 (16) −0.1636 (2) 0.0441 (7)
H13 0.2131 0.7353 −0.2022 0.053*
C2A 0.4897 (3) 0.86468 (14) 0.1616 (2) 0.0322 (5)
H2A 0.4875 0.8582 0.0820 0.039*
C10A 0.0213 (3) 0.91674 (15) −0.0498 (2) 0.0422 (6)
H10A −0.0282 0.9621 −0.0111 0.051*
C14A 0.1978 (3) 0.78474 (15) −0.0433 (2) 0.0399 (6)
H14A 0.2665 0.7410 −0.0007 0.048*
C11A −0.0134 (3) 0.91349 (15) −0.1705 (2) 0.0431 (6)
H11A −0.0853 0.9562 −0.2130 0.052*
C5A 0.4937 (3) 0.91935 (15) 0.39910 (19) 0.0366 (6)
C9A 0.1283 (3) 0.85343 (14) 0.0136 (2) 0.0340 (6)
C7A 0.4922 (3) 1.01738 (15) 0.3674 (2) 0.0436 (6)
H72A 0.3848 1.0447 0.3876 0.065*
H73A 0.4916 1.0236 0.2853 0.065*
H71A 0.5993 1.0453 0.4095 0.065*
C8A 0.4948 (4) 0.9102 (2) 0.5304 (2) 0.0578 (8)
H83A 0.4911 0.8490 0.5503 0.087*
H81A 0.3899 0.9396 0.5509 0.087*
H82A 0.6042 0.9364 0.5721 0.087*
Cl1B 0.53853 (10) 0.65806 (5) −0.33380 (7) 0.0718 (3)
C1B 1.1802 (3) 0.62985 (15) 0.2807 (2) 0.0398 (6)
C11B 0.6804 (3) 0.71986 (15) −0.1197 (2) 0.0431 (6)
H11B 0.7258 0.7663 −0.1585 0.052*
C12B 0.5780 (3) 0.65421 (16) −0.1819 (2) 0.0429 (6)
C3B 0.8480 (3) 0.63611 (14) 0.2483 (2) 0.0342 (6)
N1B 0.6810 (3) 0.64009 (13) 0.1810 (2) 0.0416 (6)
C4B 0.8453 (3) 0.62493 (15) 0.3765 (2) 0.0395 (6)
H42B 0.7358 0.5929 0.3866 0.047*
H41B 0.8391 0.6826 0.4116 0.047*
C2B 1.0094 (3) 0.64015 (14) 0.2057 (2) 0.0376 (6)
H2B 1.0074 0.6497 0.1266 0.045*
C6B 1.1831 (3) 0.62237 (15) 0.4087 (2) 0.0420 (6)
H62B 1.1919 0.6809 0.4424 0.050*
H61B 1.2914 0.5899 0.4428 0.050*
C14B 0.5403 (3) 0.58314 (15) −0.0062 (2) 0.0448 (7)
H14B 0.4913 0.5376 0.0323 0.054*
C10B 0.7145 (3) 0.71586 (15) −0.0002 (2) 0.0397 (6)
H10B 0.7831 0.7598 0.0422 0.048*
C9B 0.6466 (3) 0.64625 (15) 0.0577 (2) 0.0351 (6)
C13B 0.5053 (3) 0.58639 (16) −0.1263 (2) 0.0480 (7)
H13' 0.4337 0.5434 −0.1688 0.058*
O1B 1.3270 (2) 0.62702 (14) 0.24154 (19) 0.0645 (6)
C5B 1.0126 (3) 0.57602 (14) 0.4406 (2) 0.0374 (6)
C7B 1.0128 (4) 0.58084 (17) 0.5718 (2) 0.0543 (7)
H73B 0.9032 0.5541 0.5896 0.081*
H72B 1.0177 0.6413 0.5961 0.081*
H71B 1.1175 0.5501 0.6122 0.081*
C8B 1.0106 (3) 0.47940 (15) 0.4026 (2) 0.0467 (7)
H83B 0.9045 0.4508 0.4225 0.070*
H81B 1.1189 0.4505 0.4414 0.070*
H82B 1.0072 0.4763 0.3199 0.070*
H1B 0.587 (4) 0.6320 (16) 0.210 (2) 0.057 (8)*
H1A 0.067 (4) 0.8708 (15) 0.167 (2) 0.047 (7)*