x | y | z | Uiso*/Ueq | ||
F1 | 0.06331 (9) | 0.07121 (12) | 0.14879 (7) | 0.0506 (4) | |
N3 | 0.73647 (12) | −0.01216 (15) | 0.27605 (9) | 0.0291 (4) | |
O1 | 0.54633 (11) | 0.01888 (14) | 0.36550 (8) | 0.0389 (4) | |
C8 | 0.62355 (15) | −0.06156 (19) | 0.24237 (11) | 0.0289 (4) | |
C16 | 0.18387 (18) | −0.0239 (2) | 0.25987 (13) | 0.0340 (5) | |
C17 | 0.29747 (16) | −0.06191 (18) | 0.29689 (11) | 0.0290 (4) | |
C12 | 0.39893 (16) | −0.02771 (18) | 0.25277 (11) | 0.0290 (4) | |
N2 | 0.76525 (14) | 0.11901 (16) | 0.27051 (10) | 0.0378 (4) | |
N4 | 0.30375 (13) | −0.13062 (16) | 0.37147 (9) | 0.0320 (4) | |
C13 | 0.38080 (18) | 0.02722 (19) | 0.17088 (12) | 0.0336 (5) | |
C6 | 0.70879 (16) | −0.19160 (19) | 0.12221 (11) | 0.0291 (4) | |
C11 | 0.52247 (16) | −0.02255 (19) | 0.29265 (12) | 0.0306 (5) | |
C7 | 0.61641 (17) | −0.14582 (19) | 0.17621 (11) | 0.0312 (5) | |
C3 | 0.87605 (18) | −0.2952 (2) | 0.01763 (12) | 0.0369 (5) | |
N1 | 0.91459 (14) | 0.00330 (19) | 0.34166 (10) | 0.0422 (5) | |
C5 | 0.68283 (18) | −0.3030 (2) | 0.07170 (11) | 0.0324 (5) | |
C2 | 0.90214 (18) | −0.1816 (2) | 0.06478 (12) | 0.0369 (5) | |
C1 | 0.82010 (17) | −0.1292 (2) | 0.11679 (12) | 0.0330 (5) | |
C15 | 0.17490 (16) | 0.0344 (2) | 0.18190 (13) | 0.0363 (5) | |
C18 | 0.19584 (18) | −0.1755 (2) | 0.41003 (13) | 0.0387 (5) | |
C10 | 0.82587 (17) | −0.0775 (2) | 0.31872 (12) | 0.0354 (5) | |
C9 | 0.87283 (19) | 0.1214 (2) | 0.31018 (13) | 0.0406 (5) | |
C14 | 0.26982 (18) | 0.0594 (2) | 0.13393 (14) | 0.0365 (5) | |
C4 | 0.76540 (19) | −0.3541 (2) | 0.01975 (12) | 0.0365 (5) | |
C21 | 0.40905 (18) | −0.2063 (2) | 0.40537 (14) | 0.0392 (5) | |
C20 | 0.3575 (2) | −0.3164 (2) | 0.45719 (15) | 0.0446 (6) | |
C19 | 0.2455 (2) | −0.2535 (3) | 0.48764 (15) | 0.0477 (6) | |
H15 | 0.5351 (16) | −0.1852 (18) | 0.1620 (10) | 0.031 (5)* | |
H23 | 0.1166 (17) | −0.0388 (19) | 0.2867 (12) | 0.038 (6)* | |
H3A | 0.4540 (15) | −0.2398 (18) | 0.3554 (11) | 0.037 (5)* | |
H5 | 0.2578 (17) | 0.1005 (19) | 0.0796 (12) | 0.042 (6)* | |
H12 | 0.6041 (17) | −0.3451 (19) | 0.0728 (11) | 0.036 (5)* | |
H7 | 0.8209 (17) | −0.174 (2) | 0.3276 (12) | 0.044 (6)* | |
H8A | 0.1441 (17) | −0.096 (2) | 0.4266 (11) | 0.043 (6)* | |
H2A | 0.3393 (17) | −0.396 (2) | 0.4217 (12) | 0.044 (6)* | |
H18 | 0.4500 (16) | 0.0451 (18) | 0.1429 (12) | 0.037 (5)* | |
H6 | 0.9173 (18) | 0.205 (2) | 0.3160 (12) | 0.048 (6)* | |
H4 | 0.7450 (17) | −0.432 (2) | −0.0150 (12) | 0.041 (6)* | |
H14 | 0.9352 (18) | −0.332 (2) | −0.0180 (11) | 0.047 (6)* | |
H11 | 0.9777 (18) | −0.1339 (19) | 0.0632 (11) | 0.039 (5)* | |
H8B | 0.1457 (18) | −0.2321 (19) | 0.3678 (12) | 0.046 (6)* | |
H10 | 0.8385 (17) | −0.0451 (19) | 0.1478 (12) | 0.044 (6)* | |
H3B | 0.4656 (19) | −0.144 (2) | 0.4417 (13) | 0.057 (7)* | |
H1A | 0.1847 (19) | −0.322 (2) | 0.5052 (13) | 0.060 (7)* | |
H2B | 0.4184 (19) | −0.346 (2) | 0.5040 (12) | 0.049 (6)* | |
H1B | 0.267 (2) | −0.193 (2) | 0.5352 (14) | 0.068 (8)* |