x | y | z | Uiso*/Ueq | Occ. (<1) | |
P1 | 0.72597 (4) | 0.12670 (3) | 0.30753 (4) | 0.02990 (14) | |
O1 | 0.87089 (17) | 0.17794 (17) | 0.35222 (16) | 0.0442 (4) | 0.833 (2) |
O2 | 0.60357 (16) | 0.22189 (12) | 0.25429 (17) | 0.0421 (4) | 0.833 (2) |
O3 | 0.69477 (16) | 0.05711 (13) | 0.41970 (14) | 0.0404 (4) | 0.833 (2) |
O1' | 0.8042 (9) | 0.2366 (7) | 0.2975 (8) | 0.0385 (17) | 0.167 (2) |
O2' | 0.5877 (7) | 0.1471 (7) | 0.3323 (7) | 0.0414 (18) | 0.167 (2) |
O3' | 0.8319 (8) | 0.0599 (7) | 0.4465 (7) | 0.0446 (19) | 0.167 (2) |
O4 | 0.68546 (12) | 0.03323 (9) | 0.18490 (11) | 0.0319 (2) | |
O5 | 0.75176 (15) | 0.08602 (13) | −0.19560 (13) | 0.0486 (3) | |
N1 | 0.55391 (16) | 0.20368 (14) | −0.26018 (15) | 0.0423 (3) | |
H1N | 0.4883 | 0.2357 | −0.2360 | 0.051* | |
C1 | 0.44938 (19) | 0.19657 (18) | 0.2069 (2) | 0.0494 (4) | |
H1A | 0.3929 | 0.2700 | 0.1787 | 0.074* | 0.833 (2) |
H1B | 0.4335 | 0.1597 | 0.2840 | 0.074* | 0.833 (2) |
H1C | 0.4168 | 0.1428 | 0.1259 | 0.074* | 0.833 (2) |
H1D | 0.3692 | 0.2054 | 0.2359 | 0.074* | 0.167 (2) |
H1E | 0.4189 | 0.1421 | 0.1267 | 0.074* | 0.167 (2) |
H1F | 0.4726 | 0.2735 | 0.1790 | 0.074* | 0.167 (2) |
C2 | 0.7899 (3) | −0.0384 (2) | 0.4980 (2) | 0.0655 (6) | |
H2A | 0.7542 | −0.0715 | 0.5641 | 0.098* | 0.833 (2) |
H2B | 0.8904 | −0.0087 | 0.5510 | 0.098* | 0.833 (2) |
H2C | 0.7898 | −0.0998 | 0.4321 | 0.098* | 0.833 (2) |
H2D | 0.8730 | −0.0660 | 0.5840 | 0.098* | 0.167 (2) |
H2E | 0.7597 | −0.1009 | 0.4265 | 0.098* | 0.167 (2) |
H2F | 0.7073 | −0.0181 | 0.5201 | 0.098* | 0.167 (2) |
C3 | 0.72637 (16) | 0.04930 (12) | 0.07257 (14) | 0.0284 (3) | |
C4 | 0.86253 (19) | −0.01539 (16) | 0.09550 (19) | 0.0442 (4) | |
H4A | 0.8863 | −0.0020 | 0.0151 | 0.066* | |
H4B | 0.8477 | −0.0998 | 0.1041 | 0.066* | |
H4C | 0.9438 | 0.0128 | 0.1825 | 0.066* | |
C5 | 0.63716 (16) | 0.11200 (13) | −0.03706 (15) | 0.0298 (3) | |
H5A | 0.5546 | 0.1478 | −0.0310 | 0.036* | |
C6 | 0.65555 (17) | 0.13105 (13) | −0.16923 (16) | 0.0324 (3) | |
C7 | 0.5494 (3) | 0.2307 (3) | −0.3968 (2) | 0.0675 (7) | |
H7A | 0.4682 | 0.2854 | −0.4472 | 0.101* | |
H7B | 0.5341 | 0.1580 | −0.4518 | 0.101* | |
H7C | 0.6427 | 0.2670 | −0.3841 | 0.101* |