x | y | z | Uiso*/Ueq | ||
N1 | 0.57956 (17) | 0.66569 (8) | 0.6878 (2) | 0.0604 (4) | |
N2 | 0.32036 (18) | 0.76234 (9) | 0.5805 (2) | 0.0588 (4) | |
O1 | 1.08253 (15) | 0.66541 (8) | 0.44352 (19) | 0.0727 (5) | |
O2 | 0.1802 (2) | 1.02435 (9) | 0.3902 (2) | 0.0978 (6) | |
C1 | 0.4392 (2) | 0.77296 (11) | 0.6916 (2) | 0.0573 (5) | |
C2 | 0.4672 (2) | 0.84059 (11) | 0.7021 (2) | 0.0616 (5) | |
H2A | 0.5421 | 0.8610 | 0.7683 | 0.074* | |
C3 | 0.36179 (19) | 0.87542 (10) | 0.5938 (2) | 0.0536 (5) | |
C4 | 0.3345 (2) | 0.94428 (11) | 0.5531 (3) | 0.0644 (6) | |
H4A | 0.3924 | 0.9789 | 0.6018 | 0.077* | |
C5 | 0.2203 (2) | 0.95918 (11) | 0.4396 (3) | 0.0675 (6) | |
C6 | 0.1345 (2) | 0.90736 (12) | 0.3641 (3) | 0.0703 (6) | |
H6A | 0.0593 | 0.9188 | 0.2859 | 0.084* | |
C7 | 0.1585 (2) | 0.84013 (12) | 0.4025 (3) | 0.0661 (6) | |
H7A | 0.1008 | 0.8059 | 0.3519 | 0.079* | |
C8 | 0.27154 (19) | 0.82467 (9) | 0.5191 (2) | 0.0529 (5) | |
C9 | 0.5147 (2) | 0.71548 (12) | 0.7821 (3) | 0.0709 (6) | |
H9A | 0.5893 | 0.7342 | 0.8602 | 0.085* | |
H9B | 0.4470 | 0.6918 | 0.8368 | 0.085* | |
C10 | 0.5303 (2) | 0.60163 (11) | 0.6481 (3) | 0.0728 (6) | |
H10A | 0.4461 | 0.5831 | 0.6732 | 0.087* | |
C11 | 0.6216 (2) | 0.56865 (11) | 0.5667 (3) | 0.0704 (6) | |
H11A | 0.6112 | 0.5244 | 0.5271 | 0.084* | |
C12 | 0.73578 (19) | 0.61433 (9) | 0.5536 (2) | 0.0535 (5) | |
C13 | 0.86132 (19) | 0.60976 (9) | 0.4852 (2) | 0.0552 (5) | |
H13A | 0.8813 | 0.5708 | 0.4311 | 0.066* | |
C14 | 0.95290 (19) | 0.66412 (10) | 0.5005 (2) | 0.0538 (5) | |
C15 | 0.9232 (2) | 0.72402 (10) | 0.5783 (2) | 0.0565 (5) | |
H15A | 0.9874 | 0.7603 | 0.5852 | 0.068* | |
C16 | 0.8003 (2) | 0.72991 (9) | 0.6444 (2) | 0.0548 (5) | |
H16A | 0.7802 | 0.7696 | 0.6961 | 0.066* | |
C17 | 0.70772 (19) | 0.67448 (9) | 0.6312 (2) | 0.0505 (4) | |
C18 | 1.1240 (3) | 0.60545 (15) | 0.3717 (4) | 0.0934 (8) | |
H18A | 1.2164 | 0.6122 | 0.3411 | 0.140* | |
H18B | 1.0550 | 0.5953 | 0.2811 | 0.140* | |
H18C | 1.1287 | 0.5680 | 0.4440 | 0.140* | |
C19 | 0.2324 (3) | 1.07922 (13) | 0.4857 (4) | 0.1022 (9) | |
H19A | 0.1819 | 1.1201 | 0.4492 | 0.153* | |
H19C | 0.3328 | 1.0851 | 0.4823 | 0.153* | |
H19D | 0.2184 | 1.0701 | 0.5911 | 0.153* | |
H1N2 | 0.274 (3) | 0.7238 (12) | 0.559 (3) | 0.072 (7)* |