x | y | z | Uiso*/Ueq | ||
O1 | 0.4130 (5) | 0.5063 (2) | 1.0258 (2) | 0.0579 (8) | |
O2 | 1.2673 (4) | 0.71624 (19) | 0.6930 (2) | 0.0436 (6) | |
O3 | 0.6361 (5) | 0.7245 (2) | 0.4683 (2) | 0.0513 (6) | |
N1 | 0.8931 (5) | 0.5916 (2) | 0.7771 (2) | 0.0357 (7) | |
N2 | 0.8339 (5) | 0.67811 (19) | 0.7116 (3) | 0.0354 (7) | |
C1 | 0.7337 (7) | 0.4561 (2) | 0.8904 (3) | 0.0371 (9) | |
C2 | 0.5766 (7) | 0.4321 (3) | 0.9892 (3) | 0.0426 (9) | |
C3 | 0.6008 (7) | 0.3398 (3) | 1.0439 (3) | 0.0501 (10) | |
H3 | 0.4953 | 0.3233 | 1.1086 | 0.060* | |
C4 | 0.7794 (8) | 0.2725 (3) | 1.0032 (4) | 0.0549 (11) | |
H4 | 0.7928 | 0.2102 | 1.0400 | 0.066* | |
C5 | 0.9407 (8) | 0.2954 (3) | 0.9081 (4) | 0.0537 (10) | |
H5 | 1.0645 | 0.2498 | 0.8818 | 0.064* | |
C6 | 0.9142 (7) | 0.3876 (3) | 0.8529 (3) | 0.0455 (9) | |
H6 | 1.0216 | 0.4036 | 0.7887 | 0.055* | |
C7 | 0.6996 (7) | 0.5520 (2) | 0.8295 (3) | 0.0377 (8) | |
H7 | 0.5353 | 0.5844 | 0.8291 | 0.045* | |
C8 | 1.0305 (6) | 0.7328 (2) | 0.6674 (3) | 0.0296 (7) | |
C9 | 0.9390 (6) | 0.8198 (2) | 0.5913 (3) | 0.0343 (8) | |
C10 | 0.7391 (6) | 0.8162 (3) | 0.4959 (3) | 0.0358 (8) | |
C11 | 0.6635 (7) | 0.9012 (3) | 0.4321 (3) | 0.0518 (10) | |
H11 | 0.5257 | 0.8990 | 0.3703 | 0.062* | |
C12 | 0.7913 (8) | 0.9890 (3) | 0.4597 (4) | 0.0606 (12) | |
H12 | 0.7384 | 1.0462 | 0.4168 | 0.073* | |
C13 | 0.9946 (8) | 0.9936 (3) | 0.5493 (4) | 0.0617 (12) | |
H13 | 1.0835 | 1.0533 | 0.5659 | 0.074* | |
C14 | 1.0677 (7) | 0.9096 (3) | 0.6151 (4) | 0.0478 (10) | |
H14 | 1.2059 | 0.9131 | 0.6767 | 0.057* | |
C15 | 0.2563 (8) | 0.4878 (4) | 1.1267 (4) | 0.0653 (12) | |
H15A | 0.1495 | 0.4295 | 1.1105 | 0.098* | |
H15B | 0.1410 | 0.5435 | 1.1385 | 0.098* | |
H15C | 0.3714 | 0.4778 | 1.2001 | 0.098* | |
C16 | 0.4372 (8) | 0.7167 (4) | 0.3692 (3) | 0.0712 (12) | |
H16A | 0.2821 | 0.7542 | 0.3885 | 0.107* | |
H16B | 0.3884 | 0.6483 | 0.3573 | 0.107* | |
H16C | 0.5066 | 0.7422 | 0.2949 | 0.107* | |
H2 | 0.662 (3) | 0.696 (3) | 0.696 (3) | 0.080* |