x | y | z | Uiso*/Ueq | ||
C1 | 1.1431 (5) | 0.8972 (6) | 0.9253 (3) | 0.0153 (10) | |
N2 | 1.1842 (4) | 0.7850 (5) | 0.8817 (2) | 0.0163 (9) | |
C3 | 1.1862 (5) | 0.8314 (6) | 0.8053 (3) | 0.0149 (10) | |
C4 | 1.1266 (5) | 0.9782 (6) | 0.8025 (3) | 0.0143 (10) | |
C5 | 1.0975 (5) | 1.0166 (5) | 0.8717 (3) | 0.0135 (9) | |
C6 | 1.0311 (5) | 1.1589 (6) | 0.8845 (3) | 0.0159 (10) | |
H6 | 1.0984 | 1.2269 | 0.9115 | 0.019* | |
C7 | 0.9703 (5) | 1.2250 (6) | 0.8039 (3) | 0.0167 (10) | |
C8 | 1.0752 (5) | 1.2122 (5) | 0.7508 (3) | 0.0144 (10) | |
H8 | 1.1580 | 1.2596 | 0.7765 | 0.017* | |
C9 | 1.0343 (5) | 1.2809 (6) | 0.6718 (3) | 0.0194 (11) | |
H9A | 1.0006 | 1.3791 | 0.6779 | 0.023* | |
H9B | 0.9620 | 1.2237 | 0.6426 | 0.023* | |
C10 | 1.1482 (5) | 1.2899 (7) | 0.6264 (3) | 0.0231 (11) | |
H10A | 1.1855 | 1.1924 | 0.6231 | 0.028* | |
H10B | 1.2183 | 1.3519 | 0.6543 | 0.028* | |
C11 | 1.1059 (7) | 1.3504 (8) | 0.5454 (4) | 0.0349 (15) | |
H11A | 1.0380 | 1.2864 | 0.5171 | 0.042* | |
H11B | 1.0657 | 1.4463 | 0.5487 | 0.042* | |
C12 | 1.2195 (8) | 1.3646 (9) | 0.5007 (4) | 0.0433 (19) | |
H12A | 1.2627 | 1.2697 | 0.4998 | 0.052* | |
H12B | 1.2852 | 1.4326 | 0.5278 | 0.052* | |
C13 | 1.1771 (12) | 1.4175 (13) | 0.4187 (5) | 0.080 (4) | |
H13A | 1.1119 | 1.3511 | 0.3913 | 0.120* | |
H13B | 1.2538 | 1.4211 | 0.3936 | 0.120* | |
H13C | 1.1387 | 1.5138 | 0.4189 | 0.120* | |
C14 | 1.2311 (5) | 0.7567 (6) | 0.7508 (3) | 0.0213 (11) | |
H14A | 1.2660 | 0.6629 | 0.7611 | 0.026* | |
H14B | 1.2277 | 0.7979 | 0.7021 | 0.026* | |
C15 | 0.8381 (5) | 1.1508 (6) | 0.7705 (3) | 0.0193 (10) | |
H15A | 0.8540 | 1.0495 | 0.7600 | 0.029* | |
H15B | 0.7986 | 1.1992 | 0.7235 | 0.029* | |
H15C | 0.7782 | 1.1570 | 0.8070 | 0.029* | |
C16 | 1.2068 (6) | 0.5407 (6) | 0.9208 (3) | 0.0203 (11) | |
H16A | 1.1648 | 0.5103 | 0.8701 | 0.031* | |
H16B | 1.1400 | 0.5521 | 0.9528 | 0.031* | |
H16C | 1.2706 | 0.4678 | 0.9429 | 0.031* | |
O1 | 1.1050 (4) | 1.0568 (4) | 0.73717 (19) | 0.0172 (7) | |
O2 | 0.9541 (4) | 1.3789 (4) | 0.8112 (2) | 0.0183 (8) | |
H2 | 0.8942 | 1.3951 | 0.8359 | 0.027* | |
O3 | 0.9324 (4) | 1.1327 (4) | 0.9312 (2) | 0.0213 (8) | |
H3 | 0.9060 | 1.2114 | 0.9456 | 0.032* | |
O4 | 1.1447 (4) | 0.8881 (4) | 0.99543 (19) | 0.0183 (8) | |
O5 | 1.2747 (4) | 0.6794 (4) | 0.9159 (2) | 0.0194 (8) | |
C1A | 0.4815 (5) | 1.9716 (6) | 0.8996 (3) | 0.0156 (10) | |
N2A | 0.4361 (4) | 2.0638 (5) | 0.8379 (2) | 0.0174 (9) | |
C3A | 0.4890 (5) | 2.0271 (6) | 0.7717 (3) | 0.0159 (10) | |
C4A | 0.5564 (5) | 1.8865 (6) | 0.7938 (3) | 0.0136 (9) | |
C5A | 0.5529 (5) | 1.8520 (5) | 0.8678 (3) | 0.0147 (10) | |
C6A | 0.6116 (5) | 1.7116 (5) | 0.9032 (3) | 0.0140 (10) | |
H6A | 0.5393 | 1.6398 | 0.9020 | 0.017* | |
C7A | 0.7097 (5) | 1.6545 (5) | 0.8525 (3) | 0.0126 (9) | |
C8A | 0.6355 (5) | 1.6563 (5) | 0.7676 (3) | 0.0140 (10) | |
H8A | 0.5498 | 1.6055 | 0.7656 | 0.017* | |
C9A | 0.7086 (5) | 1.5840 (6) | 0.7096 (3) | 0.0191 (11) | |
H9AA | 0.7419 | 1.4891 | 0.7296 | 0.023* | |
H9AB | 0.7853 | 1.6439 | 0.7038 | 0.023* | |
C10A | 0.6212 (6) | 1.5621 (7) | 0.6302 (3) | 0.0223 (11) | |
H10C | 0.5384 | 1.5139 | 0.6364 | 0.027* | |
H10D | 0.5986 | 1.6572 | 0.6066 | 0.027* | |
C11A | 0.6921 (6) | 1.4697 (7) | 0.5771 (3) | 0.0270 (13) | |
H11C | 0.7732 | 1.5202 | 0.5699 | 0.032* | |
H11D | 0.7183 | 1.3768 | 0.6023 | 0.032* | |
C12A | 0.6074 (6) | 1.4392 (8) | 0.4983 (3) | 0.0295 (14) | |
H12C | 0.5805 | 1.5318 | 0.4730 | 0.035* | |
H12D | 0.5269 | 1.3871 | 0.5051 | 0.035* | |
C13A | 0.6823 (7) | 1.3483 (8) | 0.4466 (3) | 0.0344 (15) | |
H13D | 0.6244 | 1.3297 | 0.3982 | 0.052* | |
H13E | 0.7096 | 1.2566 | 0.4715 | 0.052* | |
H13F | 0.7599 | 1.4013 | 0.4377 | 0.052* | |
C14A | 0.4806 (5) | 2.1038 (6) | 0.7075 (3) | 0.0210 (11) | |
H14C | 0.4356 | 2.1932 | 0.7026 | 0.025* | |
H14D | 0.5198 | 2.0685 | 0.6671 | 0.025* | |
C15A | 0.8399 (5) | 1.7422 (6) | 0.8646 (3) | 0.0160 (10) | |
H15D | 0.8201 | 1.8444 | 0.8550 | 0.024* | |
H15E | 0.8958 | 1.7077 | 0.8296 | 0.024* | |
H15F | 0.8858 | 1.7298 | 0.9168 | 0.024* | |
C16A | 0.5035 (6) | 2.3002 (6) | 0.8752 (4) | 0.0273 (12) | |
H16D | 0.5616 | 2.2998 | 0.8376 | 0.041* | |
H16E | 0.5520 | 2.2663 | 0.9238 | 0.041* | |
H16F | 0.4719 | 2.3983 | 0.8809 | 0.041* | |
O1A | 0.6069 (4) | 1.8064 (4) | 0.74144 (18) | 0.0166 (7) | |
O2A | 0.7369 (3) | 1.5024 (4) | 0.86892 (19) | 0.0145 (7) | |
H2A | 0.7410 | 1.4877 | 0.9152 | 0.022* | |
O3A | 0.6775 (3) | 1.7297 (4) | 0.98091 (18) | 0.0145 (7) | |
H3A | 0.6363 | 1.6850 | 1.0097 | 0.022* | |
O4A | 0.4586 (4) | 1.9909 (4) | 0.9650 (2) | 0.0179 (7) | |
O5A | 0.3911 (4) | 2.2045 (4) | 0.8499 (2) | 0.0186 (8) |