Skip to main content
. 2012 Sep 15;68(Pt 10):m1262–m1263. doi: 10.1107/S1600536812038317
x y z Uiso*/Ueq
Co1 0.41746 (2) 0.303450 (12) 0.765205 (17) 0.01882 (9)
C1 0.47891 (17) 0.39649 (9) 0.86413 (13) 0.0235 (5)
C2 0.44331 (18) 0.43899 (10) 0.91286 (14) 0.0276 (6)
H2 0.4767 0.4632 0.9429 0.033*
C3 0.35298 (19) 0.43709 (10) 0.90664 (14) 0.0294 (6)
H3 0.3121 0.4605 0.9306 0.035*
C4 0.33076 (17) 0.39238 (9) 0.85634 (13) 0.0230 (5)
C5 0.24276 (17) 0.37482 (10) 0.84014 (13) 0.0253 (5)
C6 0.22553 (17) 0.32218 (10) 0.80872 (13) 0.0244 (5)
C7 0.13941 (18) 0.29475 (11) 0.80660 (14) 0.0299 (6)
H7 0.0839 0.3110 0.8179 0.036*
C8 0.15321 (18) 0.24125 (11) 0.78530 (14) 0.0293 (6)
H8 0.1098 0.2129 0.7820 0.035*
C9 0.24770 (17) 0.23612 (10) 0.76861 (13) 0.0238 (5)
C10 0.28527 (17) 0.19042 (10) 0.73197 (13) 0.0241 (5)
C11 0.36628 (17) 0.19416 (9) 0.69492 (13) 0.0224 (5)
C12 0.39758 (18) 0.15473 (10) 0.64005 (14) 0.0278 (6)
H12 0.3709 0.1204 0.6282 0.033*
C13 0.47214 (18) 0.17655 (10) 0.60926 (14) 0.0270 (6)
H13 0.5048 0.1612 0.5702 0.032*
C14 0.49231 (17) 0.22821 (9) 0.64795 (13) 0.0223 (5)
C15 0.57212 (17) 0.25833 (10) 0.64124 (13) 0.0235 (5)
C16 0.59676 (17) 0.29995 (9) 0.69188 (13) 0.0223 (5)
C17 0.68682 (17) 0.32199 (10) 0.69911 (14) 0.0264 (5)
H17 0.7355 0.3143 0.6682 0.032*
C18 0.68778 (17) 0.35588 (10) 0.75877 (13) 0.0264 (5)
H18 0.7376 0.3752 0.7777 0.032*
C19 0.59776 (16) 0.35666 (9) 0.78786 (13) 0.0225 (5)
C20 0.56930 (17) 0.39076 (10) 0.84542 (13) 0.0238 (5)
C21 0.16630 (17) 0.41203 (10) 0.86122 (14) 0.0281 (6)
C22 0.10054 (19) 0.39637 (13) 0.91157 (16) 0.0397 (7)
H22 0.1044 0.3617 0.9353 0.048*
C23 0.0292 (2) 0.43226 (16) 0.92653 (19) 0.0533 (9)
H23 −0.0150 0.4214 0.9601 0.064*
C24 0.0229 (2) 0.48400 (15) 0.8922 (2) 0.0578 (10)
H24 −0.0255 0.5078 0.9024 0.069*
C25 0.0885 (2) 0.50028 (13) 0.84275 (19) 0.0481 (8)
H25 0.0849 0.5353 0.8198 0.058*
C26 0.15956 (19) 0.46445 (11) 0.82740 (16) 0.0346 (6)
H26 0.2037 0.4756 0.7939 0.042*
C27 0.23115 (17) 0.13731 (10) 0.72881 (14) 0.0249 (5)
C28 0.22305 (19) 0.10503 (11) 0.79248 (15) 0.0319 (6)
H28 0.2524 0.1162 0.8358 0.038*
C29 0.17119 (19) 0.05600 (11) 0.79182 (16) 0.0360 (6)
H29 0.1659 0.0346 0.8348 0.043*
C30 0.12785 (19) 0.03908 (11) 0.72810 (16) 0.0372 (7)
H30 0.0932 0.0064 0.7277 0.045*
C31 0.1362 (2) 0.07110 (12) 0.66462 (17) 0.0407 (7)
H31 0.1074 0.0597 0.6212 0.049*
C32 0.1868 (2) 0.11986 (11) 0.66523 (15) 0.0353 (6)
H32 0.1911 0.1413 0.6223 0.042*
C33 0.63888 (17) 0.24296 (10) 0.58356 (13) 0.0254 (5)
C34 0.68263 (19) 0.19139 (11) 0.58344 (14) 0.0332 (6)
H34 0.6677 0.1645 0.6188 0.040*
C35 0.7481 (2) 0.17922 (13) 0.53169 (16) 0.0416 (7)
H35 0.7769 0.1444 0.5324 0.050*
C36 0.7708 (2) 0.21855 (14) 0.47908 (16) 0.0420 (7)
H36 0.8150 0.2104 0.4442 0.050*
C37 0.7283 (2) 0.26982 (14) 0.47815 (15) 0.0417 (7)
H37 0.7439 0.2965 0.4427 0.050*
C38 0.66182 (18) 0.28206 (11) 0.52997 (14) 0.0306 (6)
H38 0.6326 0.3168 0.5286 0.037*
C39 0.63795 (17) 0.42845 (11) 0.88148 (14) 0.0284 (6)
C40 0.6803 (2) 0.41314 (13) 0.94660 (16) 0.0444 (7)
H40 0.6640 0.3799 0.9703 0.053*
C41 0.7472 (2) 0.44727 (16) 0.9770 (2) 0.0573 (10)
H41 0.7760 0.4363 1.0206 0.069*
C42 0.7712 (2) 0.49646 (18) 0.9438 (2) 0.0615 (11)
H42 0.8163 0.5190 0.9644 0.074*
C43 0.7286 (3) 0.51238 (17) 0.8804 (2) 0.0758 (13)
H43 0.7441 0.5462 0.8578 0.091*
C44 0.6618 (3) 0.47817 (14) 0.84890 (19) 0.0600 (10)
H44 0.6333 0.4894 0.8053 0.072*
C45 0.4371 (2) 0.21365 (13) 0.87625 (18) 0.0491 (8)
C46 0.38075 (19) 0.39021 (11) 0.64692 (15) 0.0335 (6)
C47 0.3658 (2) 0.27299 (13) 0.4394 (2) 0.0548 (9)
H47A 0.3628 0.2686 0.3860 0.066*
H47B 0.3846 0.2371 0.4603 0.066*
C48 0.4367 (2) 0.31679 (14) 0.4579 (2) 0.0562 (9)
H48A 0.4383 0.3232 0.5110 0.067*
H48B 0.4959 0.3035 0.4427 0.067*
C49 0.4834 (2) 0.40924 (16) 0.4333 (2) 0.0605 (10)
H49A 0.5414 0.3954 0.4163 0.073*
H49B 0.4884 0.4170 0.4860 0.073*
C50 0.4594 (2) 0.46173 (16) 0.3930 (2) 0.0612 (10)
H50A 0.5095 0.4881 0.3954 0.073*
H50B 0.4473 0.4532 0.3413 0.073*
C51 0.3611 (2) 0.53924 (13) 0.39513 (19) 0.0509 (8)
H51A 0.3442 0.5353 0.3434 0.061*
H51B 0.4135 0.5638 0.3983 0.061*
C52 0.2841 (2) 0.56410 (13) 0.43784 (19) 0.0514 (9)
H52A 0.3003 0.5646 0.4900 0.062*
H52B 0.2757 0.6029 0.4222 0.062*
C53 0.1342 (3) 0.55264 (13) 0.4859 (2) 0.0576 (9)
H53A 0.0732 0.5432 0.4699 0.069*
H53B 0.1378 0.5933 0.4906 0.069*
C54 0.1513 (3) 0.52678 (15) 0.5594 (2) 0.0592 (10)
H54A 0.2147 0.5311 0.5726 0.071*
H54B 0.1153 0.5457 0.5966 0.071*
C55 0.1432 (3) 0.44287 (19) 0.62748 (18) 0.0674 (11)
H55A 0.1043 0.4601 0.6642 0.081*
H55B 0.2056 0.4482 0.6430 0.081*
C56 0.1229 (3) 0.38185 (19) 0.6216 (2) 0.0713 (12)
H56A 0.1225 0.3651 0.6706 0.086*
H56B 0.0636 0.3765 0.5994 0.086*
C57 0.1897 (3) 0.29637 (16) 0.5833 (2) 0.0693 (11)
H57A 0.1350 0.2812 0.5610 0.083*
H57B 0.1908 0.2856 0.6351 0.083*
C58 0.2706 (3) 0.27272 (14) 0.54518 (19) 0.0585 (10)
H58A 0.3246 0.2867 0.5698 0.070*
H58B 0.2699 0.2320 0.5506 0.070*
C59 0.2074 (2) 0.25531 (12) 0.4243 (2) 0.0550 (9)
H59A 0.1514 0.2554 0.4520 0.066*
H59B 0.2269 0.2164 0.4194 0.066*
C60 0.1894 (2) 0.27852 (12) 0.34906 (18) 0.0494 (8)
H60A 0.2447 0.2786 0.3204 0.059*
H60B 0.1453 0.2552 0.3235 0.059*
C61 0.1234 (3) 0.35410 (14) 0.28719 (18) 0.0569 (9)
H61A 0.0830 0.3265 0.2652 0.068*
H61B 0.1737 0.3599 0.2537 0.068*
C62 0.0750 (3) 0.40724 (14) 0.2980 (2) 0.0630 (11)
H62A 0.0468 0.4188 0.2517 0.076*
H62B 0.0279 0.4022 0.3346 0.076*
C63 0.0916 (2) 0.50148 (13) 0.3325 (2) 0.0552 (9)
H63A 0.0459 0.4977 0.3706 0.066*
H63B 0.0619 0.5128 0.2868 0.066*
C64 0.1597 (2) 0.54490 (13) 0.35509 (19) 0.0535 (9)
H64A 0.2082 0.5455 0.3191 0.064*
H64B 0.1311 0.5817 0.3548 0.064*
N1 0.40830 (13) 0.36760 (8) 0.83187 (10) 0.0214 (4)
N4 0.54411 (13) 0.32126 (8) 0.74713 (10) 0.0212 (4)
N3 0.42573 (13) 0.23860 (8) 0.69859 (10) 0.0210 (4)
N2 0.29024 (14) 0.28625 (8) 0.78308 (11) 0.0227 (4)
N5 0.45202 (15) 0.25569 (8) 0.84641 (11) 0.0264 (5)
N6 0.38396 (15) 0.35109 (8) 0.68460 (11) 0.0274 (5)
N7 0.27608 (18) 0.28639 (10) 0.46648 (14) 0.0430 (6)
N8 0.19817 (17) 0.53412 (9) 0.42903 (14) 0.0410 (6)
O5 0.12856 (15) 0.46853 (9) 0.55713 (11) 0.0465 (5)
O6 0.18960 (15) 0.35528 (9) 0.57740 (11) 0.0495 (6)
O7 0.13645 (15) 0.44939 (8) 0.32216 (12) 0.0486 (6)
O8 0.15602 (14) 0.33395 (8) 0.35576 (10) 0.0404 (5)
O3 0.38214 (14) 0.48576 (9) 0.42561 (12) 0.0486 (5)
O4 0.41566 (14) 0.36779 (9) 0.42072 (13) 0.0508 (6)
O1 0.4232 (2) 0.17042 (12) 0.9080 (2) 0.1138 (14)
O2 0.3746 (2) 0.42972 (10) 0.60550 (16) 0.0767 (8)
K1 0.24151 (4) 0.41042 (2) 0.45285 (3) 0.03328 (15)