x | y | z | Uiso*/Ueq | ||
O1 | 0.38020 (7) | 0.71239 (11) | 0.65434 (5) | 0.0236 (2) | |
O2 | 0.40102 (7) | 0.40284 (10) | 0.49618 (5) | 0.0226 (2) | |
O3 | 0.10593 (7) | 0.26403 (10) | 0.35317 (5) | 0.0237 (2) | |
O4 | −0.00667 (7) | 0.42294 (10) | 0.40878 (5) | 0.0230 (2) | |
N1 | 0.09228 (9) | 1.16277 (13) | 0.71073 (6) | 0.0226 (3) | |
H1N1 | 0.0289 (15) | 1.1700 (18) | 0.6971 (8) | 0.028 (5)* | |
H2N1 | 0.1136 (15) | 1.197 (2) | 0.7468 (9) | 0.036 (5)* | |
C1 | 0.23640 (9) | 0.84035 (13) | 0.65403 (6) | 0.0165 (3) | |
C2 | 0.28745 (9) | 0.92608 (13) | 0.69789 (6) | 0.0169 (3) | |
H2A | 0.3552 | 0.9129 | 0.7131 | 0.020* | |
C3 | 0.23973 (10) | 1.02891 (13) | 0.71892 (6) | 0.0174 (3) | |
H3A | 0.2749 | 1.0829 | 0.7486 | 0.021* | |
C4 | 0.13779 (10) | 1.05267 (13) | 0.69558 (6) | 0.0171 (3) | |
C5 | 0.08494 (9) | 0.96364 (14) | 0.65447 (6) | 0.0183 (3) | |
H5A | 0.0166 | 0.9746 | 0.6407 | 0.022* | |
C6 | 0.13318 (10) | 0.86001 (14) | 0.63425 (6) | 0.0182 (3) | |
H6A | 0.0968 | 0.8020 | 0.6070 | 0.022* | |
C7 | 0.29247 (10) | 0.73650 (13) | 0.63014 (6) | 0.0177 (3) | |
C8 | 0.24234 (10) | 0.66396 (14) | 0.57644 (6) | 0.0201 (3) | |
H8A | 0.1762 | 0.6835 | 0.5598 | 0.024* | |
C9 | 0.28853 (9) | 0.57075 (13) | 0.55064 (6) | 0.0177 (3) | |
H9A | 0.3553 | 0.5549 | 0.5673 | 0.021* | |
C10 | 0.24334 (9) | 0.49221 (13) | 0.49882 (6) | 0.0163 (3) | |
C11 | 0.30112 (9) | 0.40495 (13) | 0.47178 (6) | 0.0174 (3) | |
C12 | 0.25784 (10) | 0.32686 (13) | 0.42310 (6) | 0.0185 (3) | |
H12A | 0.2973 | 0.2697 | 0.4059 | 0.022* | |
C13 | 0.15546 (10) | 0.33465 (13) | 0.40038 (6) | 0.0181 (3) | |
C14 | 0.09645 (9) | 0.42119 (13) | 0.42698 (6) | 0.0181 (3) | |
C15 | 0.14011 (10) | 0.49721 (13) | 0.47490 (6) | 0.0177 (3) | |
H15A | 0.1002 | 0.5538 | 0.4921 | 0.021* | |
C16 | 0.46300 (10) | 0.31421 (15) | 0.47127 (7) | 0.0227 (3) | |
H16A | 0.5310 | 0.3231 | 0.4922 | 0.034* | |
H16B | 0.4590 | 0.3324 | 0.4288 | 0.034* | |
H16C | 0.4406 | 0.2276 | 0.4760 | 0.034* | |
C17 | 0.16178 (11) | 0.17238 (15) | 0.32512 (7) | 0.0249 (3) | |
H17A | 0.1189 | 0.1338 | 0.2908 | 0.037* | |
H17B | 0.1877 | 0.1065 | 0.3540 | 0.037* | |
H17C | 0.2162 | 0.2155 | 0.3118 | 0.037* | |
C18 | −0.04143 (12) | 0.49413 (19) | 0.35457 (8) | 0.0338 (4) | |
H18A | −0.1129 | 0.5017 | 0.3482 | 0.051* | |
H18B | −0.0228 | 0.4500 | 0.3207 | 0.051* | |
H18C | −0.0120 | 0.5787 | 0.3582 | 0.051* |