x | y | z | Uiso*/Ueq | ||
S1 | 0.18439 (4) | 0.24766 (7) | 0.46938 (4) | 0.04704 (14) | |
S2 | 0.34737 (4) | 0.41561 (7) | 0.71120 (4) | 0.04642 (14) | |
S3 | 0.61254 (5) | 0.45960 (7) | 0.67293 (6) | 0.05644 (16) | |
N1 | 0.10297 (15) | 0.3506 (3) | 0.65446 (15) | 0.0558 (4) | |
N2 | −0.00530 (15) | 0.2958 (3) | 0.56825 (16) | 0.0591 (5) | |
N3 | 0.46784 (15) | 0.2117 (2) | 0.57237 (16) | 0.0497 (4) | |
C1 | 0.20708 (15) | 0.3340 (2) | 0.61488 (15) | 0.0384 (3) | |
C2 | 0.02170 (17) | 0.2417 (3) | 0.46812 (17) | 0.0449 (4) | |
C3 | 0.47049 (15) | 0.3452 (2) | 0.64267 (14) | 0.0358 (3) | |
C4 | 0.67326 (17) | 0.3165 (3) | 0.58452 (17) | 0.0460 (4) | |
H4 | 0.756109 | 0.320593 | 0.570753 | 0.055* | |
C5 | 0.58447 (17) | 0.1979 (3) | 0.53809 (18) | 0.0479 (4) | |
H5 | 0.599905 | 0.110958 | 0.485673 | 0.058* | |
C6 | −0.07813 (19) | 0.1783 (4) | 0.3609 (2) | 0.0606 (6) | |
H6A | −0.089445 | 0.261709 | 0.295572 | 0.091* | |
H6B | −0.158370 | 0.162416 | 0.384862 | 0.091* | |
H6C | −0.050886 | 0.069815 | 0.333151 | 0.091* |