x | y | z | Uiso*/Ueq | ||
O1 | 0.6535 (2) | 0.5757 (2) | 0.6758 (3) | 0.0334 (7) | |
O2 | 0.8216 (2) | 0.5067 (2) | 0.8325 (3) | 0.0321 (6) | |
O3 | 0.6242 (2) | −0.0697 (2) | 0.6309 (3) | 0.0284 (6) | |
O4 | 0.79942 (18) | −0.0218 (2) | 0.8128 (3) | 0.0225 (6) | |
N1 | 0.7216 (2) | 0.4878 (3) | 0.7390 (3) | 0.0254 (7) | |
N2 | 0.5700 (2) | 0.1948 (3) | 0.6026 (3) | 0.0211 (6) | |
C1 | 0.5726 (3) | 0.3226 (3) | 0.6068 (4) | 0.0203 (7) | |
H1 | 0.5102 | 0.3788 | 0.5530 | 0.024* | |
C2 | 0.6831 (3) | 0.3584 (3) | 0.7041 (4) | 0.0189 (7) | |
C3 | 0.7498 (3) | 0.2472 (3) | 0.7609 (4) | 0.0181 (7) | |
H3 | 0.8287 | 0.2428 | 0.8300 | 0.022* | |
C4 | 0.6769 (2) | 0.1465 (3) | 0.6954 (4) | 0.0179 (7) | |
C5 | 0.6964 (3) | 0.0084 (3) | 0.7088 (4) | 0.0192 (7) | |
C6 | 0.8251 (3) | −0.1596 (3) | 0.8261 (5) | 0.0290 (8) | |
H6A | 0.8214 | −0.1978 | 0.6991 | 0.035* | |
H6B | 0.7645 | −0.2034 | 0.8954 | 0.035* | |
C7 | 0.9511 (3) | −0.1739 (4) | 0.9291 (5) | 0.0325 (9) | |
H7A | 1.0100 | −0.1298 | 0.8592 | 0.049* | |
H7B | 0.9720 | −0.2653 | 0.9406 | 0.049* | |
H7C | 0.9533 | −0.1360 | 1.0546 | 0.049* | |
H1N | 0.513 (4) | 0.143 (4) | 0.546 (6) | 0.055 (13)* |