x | y | z | Uiso*/Ueq | ||
O1 | 0.5051 (5) | 0.75199 (14) | 0.74392 (14) | 0.0280 (6) | |
O2 | 0.1740 (5) | 0.83227 (14) | 0.62424 (12) | 0.0281 (5) | |
O3 | 0.1933 (5) | 1.08380 (14) | 0.69719 (15) | 0.0262 (5) | |
O4 | −0.0651 (5) | 1.10191 (16) | 0.87414 (16) | 0.0318 (5) | |
O1w | 0.0565 (5) | 0.82560 (15) | 0.43458 (14) | 0.0268 (5) | |
C1 | 0.1862 (7) | 0.8812 (2) | 0.77911 (18) | 0.0198 (6) | |
C2 | 0.3877 (7) | 0.81217 (18) | 0.80514 (18) | 0.0226 (7) | |
C3 | 0.4788 (7) | 0.8053 (2) | 0.89602 (18) | 0.0270 (7) | |
H3A | 0.6084 | 0.7592 | 0.9134 | 0.032* | |
C4 | 0.3753 (7) | 0.8673 (2) | 0.96024 (19) | 0.0278 (8) | |
H4A | 0.4351 | 0.8622 | 1.0213 | 0.033* | |
C5 | 0.1843 (7) | 0.9371 (2) | 0.9362 (2) | 0.0247 (7) | |
H5A | 0.1202 | 0.9787 | 0.9809 | 0.030* | |
C6 | 0.0881 (7) | 0.94556 (19) | 0.8461 (2) | 0.0211 (6) | |
C7 | −0.1173 (7) | 1.02214 (19) | 0.8181 (2) | 0.0244 (7) | |
H7 | −0.3147 | 1.0008 | 0.8293 | 0.029* | |
C8 | −0.0888 (7) | 1.0480 (2) | 0.7169 (2) | 0.0235 (7) | |
H8 | −0.2352 | 1.0942 | 0.7004 | 0.028* | |
C9 | −0.1250 (6) | 0.96220 (19) | 0.6583 (2) | 0.0236 (7) | |
H9A | −0.3192 | 0.9385 | 0.6658 | 0.028* | |
H9B | −0.0993 | 0.9786 | 0.5940 | 0.028* | |
C10 | 0.0858 (6) | 0.88749 (19) | 0.68341 (18) | 0.0193 (6) | |
H1 | 0.439 (8) | 0.761 (2) | 0.6908 (13) | 0.049 (12)* | |
H2 | 0.228 (12) | 1.1339 (18) | 0.725 (3) | 0.103 (19)* | |
H3 | −0.228 (4) | 1.118 (3) | 0.895 (2) | 0.061 (13)* | |
H4 | 0.071 (10) | 0.821 (2) | 0.4923 (8) | 0.060 (13)* | |
H5 | 0.212 (4) | 0.848 (2) | 0.414 (2) | 0.039 (11)* |