x | y | z | Uiso*/Ueq | ||
N1 | 0.19472 (7) | 0.2447 (2) | 0.19552 (7) | 0.0375 (3) | |
H1A | 0.1776 (9) | 0.374 (3) | 0.2008 (8) | 0.045* | |
H1B | 0.2431 (9) | 0.223 (2) | 0.2302 (9) | 0.045* | |
H1C | 0.1652 (9) | 0.142 (3) | 0.2002 (8) | 0.045* | |
C2 | 0.19529 (8) | 0.2437 (3) | 0.12037 (8) | 0.0491 (4) | |
H2A | 0.2127 | 0.1110 | 0.1116 | 0.059* | |
H2B | 0.2319 | 0.3457 | 0.1198 | 0.059* | |
C3 | 0.11811 (9) | 0.2872 (3) | 0.05773 (8) | 0.0512 (4) | |
H3A | 0.0994 | 0.4156 | 0.0686 | 0.061* | |
H3B | 0.1226 | 0.3034 | 0.0097 | 0.061* | |
N4 | 0.06208 (7) | 0.12951 (18) | 0.04783 (6) | 0.0418 (3) | |
C5 | −0.01461 (8) | 0.2057 (2) | 0.00103 (8) | 0.0458 (4) | |
H5A | −0.0182 | 0.2489 | −0.0487 | 0.055* | |
H5B | −0.0242 | 0.3241 | 0.0260 | 0.055* | |
C6 | 0.07429 (8) | −0.0487 (2) | 0.01107 (8) | 0.0483 (4) | |
H6A | 0.1254 | −0.1048 | 0.0430 | 0.058* | |
H6B | 0.0726 | −0.0106 | −0.0384 | 0.058* | |
C7 | 0.46941 (7) | 0.2132 (2) | 0.30262 (7) | 0.0347 (3) | |
C8 | 0.51949 (8) | 0.3595 (3) | 0.30237 (8) | 0.0470 (4) | |
H8 | 0.5013 | 0.4909 | 0.2852 | 0.056* | |
C9 | 0.59622 (9) | 0.3155 (3) | 0.32714 (9) | 0.0583 (5) | |
H9 | 0.6304 | 0.4175 | 0.3276 | 0.070* | |
C10 | 0.62302 (9) | 0.1248 (3) | 0.35110 (9) | 0.0566 (5) | |
H10 | 0.6755 | 0.0952 | 0.3680 | 0.068* | |
C11 | 0.57335 (9) | −0.0231 (3) | 0.35052 (8) | 0.0512 (4) | |
H11 | 0.5915 | −0.1552 | 0.3664 | 0.061* | |
C12 | 0.49691 (8) | 0.0210 (2) | 0.32676 (8) | 0.0415 (3) | |
H12 | 0.4631 | −0.0809 | 0.3270 | 0.050* | |
C13 | 0.38687 (7) | 0.2669 (2) | 0.27915 (7) | 0.0340 (3) | |
O14 | 0.36433 (5) | 0.43634 (15) | 0.25215 (5) | 0.0429 (2) | |
O15 | 0.34467 (5) | 0.13526 (15) | 0.28820 (6) | 0.0435 (3) | |
N1' | 0.18677 (7) | 0.8130 (2) | 0.69616 (7) | 0.0387 (3) | |
H1'A | 0.2019 (9) | 0.704 (3) | 0.6812 (9) | 0.046* | |
H1'B | 0.2193 (9) | 0.845 (2) | 0.7439 (10) | 0.046* | |
H1'C | 0.1828 (9) | 0.917 (3) | 0.6640 (9) | 0.046* | |
C2' | 0.11280 (9) | 0.7645 (3) | 0.69548 (8) | 0.0490 (4) | |
H2'A | 0.0946 | 0.8814 | 0.7141 | 0.059* | |
H2'B | 0.1193 | 0.6506 | 0.7301 | 0.059* | |
C3' | 0.05450 (8) | 0.7108 (3) | 0.61682 (8) | 0.0484 (4) | |
H3'A | 0.0703 | 0.5854 | 0.6006 | 0.058* | |
H3'B | 0.0049 | 0.6857 | 0.6177 | 0.058* | |
N4' | 0.04519 (6) | 0.86872 (18) | 0.56193 (6) | 0.0409 (3) | |
C5' | 0.00761 (8) | 1.0480 (2) | 0.57298 (8) | 0.0458 (4) | |
H5'A | 0.0379 | 1.1020 | 0.6246 | 0.055* | |
H5'B | −0.0434 | 1.0114 | 0.5683 | 0.055* | |
C6' | 0.00043 (8) | 0.7944 (2) | 0.48472 (8) | 0.0441 (4) | |
H6'A | −0.0507 | 0.7539 | 0.4785 | 0.053* | |
H6'B | 0.0256 | 0.6747 | 0.4762 | 0.053* | |
C7' | 0.19900 (7) | 0.3513 (2) | 0.53125 (7) | 0.0351 (3) | |
C8' | 0.17823 (8) | 0.5420 (2) | 0.50088 (8) | 0.0425 (3) | |
H8' | 0.1815 | 0.6515 | 0.5332 | 0.051* | |
C9' | 0.15272 (9) | 0.5741 (3) | 0.42383 (9) | 0.0515 (4) | |
H9' | 0.1377 | 0.7044 | 0.4032 | 0.062* | |
C10' | 0.14927 (9) | 0.4151 (3) | 0.37717 (9) | 0.0533 (4) | |
H10' | 0.1315 | 0.4365 | 0.3243 | 0.064* | |
C11' | 0.17134 (9) | 0.2262 (3) | 0.40677 (8) | 0.0518 (4) | |
H11' | 0.1699 | 0.1181 | 0.3746 | 0.062* | |
C12' | 0.19571 (8) | 0.1943 (2) | 0.48389 (8) | 0.0440 (3) | |
H12' | 0.2102 | 0.0634 | 0.5043 | 0.053* | |
C13' | 0.22236 (7) | 0.3122 (2) | 0.61444 (7) | 0.0355 (3) | |
O14' | 0.23245 (6) | 0.46100 (17) | 0.65735 (5) | 0.0521 (3) | |
O15' | 0.23097 (6) | 0.13489 (16) | 0.63648 (6) | 0.0478 (3) |