x | y | z | Uiso*/Ueq | ||
C1 | −0.0391 (2) | 0.81198 (18) | 0.21029 (19) | 0.0220 (6) | |
H1 | −0.0477 | 0.8647 | 0.1734 | 0.026* | |
C2 | 0.0052 (2) | 0.8377 (2) | 0.3007 (2) | 0.0246 (7) | |
C3 | 0.0859 (2) | 0.76493 (18) | 0.32284 (18) | 0.0218 (6) | |
H3 | 0.0727 | 0.7412 | 0.3815 | 0.026* | |
C4 | 0.1968 (2) | 0.80413 (18) | 0.31663 (18) | 0.0209 (6) | |
C5 | 0.2045 (2) | 0.85444 (18) | 0.23165 (18) | 0.0219 (6) | |
H5 | 0.1701 | 0.9126 | 0.2373 | 0.026* | |
C6 | 0.1544 (2) | 0.80248 (19) | 0.15592 (18) | 0.0220 (6) | |
H6 | 0.1380 | 0.8456 | 0.1099 | 0.026* | |
C7 | 0.0505 (2) | 0.75172 (18) | 0.17449 (18) | 0.0207 (6) | |
C8 | 0.0175 (2) | 0.70445 (19) | 0.09137 (19) | 0.0226 (6) | |
H8 | 0.0235 | 0.7470 | 0.0432 | 0.027* | |
C9 | −0.0936 (2) | 0.6672 (2) | 0.0894 (2) | 0.0256 (7) | |
H9A | −0.1126 | 0.6534 | 0.0294 | 0.031* | |
H9B | −0.0949 | 0.6123 | 0.1225 | 0.031* | |
C10 | −0.1744 (2) | 0.72861 (19) | 0.12591 (19) | 0.0241 (6) | |
H10 | −0.1762 | 0.7807 | 0.0877 | 0.029* | |
C11 | −0.1439 (2) | 0.76086 (19) | 0.21596 (19) | 0.0236 (6) | |
C12 | −0.1281 (2) | 0.68527 (19) | 0.2794 (2) | 0.0254 (7) | |
H12A | −0.1312 | 0.7082 | 0.3386 | 0.030* | |
H12B | −0.1866 | 0.6432 | 0.2724 | 0.030* | |
C13 | 0.0663 (2) | 0.69431 (18) | 0.25371 (18) | 0.0226 (6) | |
H13 | 0.1306 | 0.6574 | 0.2466 | 0.027* | |
C14 | 0.2486 (2) | 0.7463 (2) | 0.1230 (2) | 0.0275 (7) | |
H14A | 0.2335 | 0.6837 | 0.1313 | 0.033* | |
H14B | 0.2606 | 0.7570 | 0.0612 | 0.033* | |
C15 | 0.3455 (2) | 0.7728 (2) | 0.17473 (18) | 0.0247 (6) | |
C16 | 0.3180 (2) | 0.86471 (19) | 0.20170 (19) | 0.0242 (6) | |
H16 | 0.3214 | 0.9048 | 0.1513 | 0.029* | |
C17 | 0.3584 (2) | 0.71420 (19) | 0.25396 (19) | 0.0253 (7) | |
H17 | 0.3397 | 0.6533 | 0.2376 | 0.030* | |
C18 | 0.2910 (2) | 0.74092 (19) | 0.33247 (18) | 0.0240 (6) | |
H18 | 0.3398 | 0.7717 | 0.3726 | 0.029* | |
C19 | 0.3869 (2) | 0.97097 (19) | 0.3007 (2) | 0.0257 (7) | |
C20 | 0.4690 (2) | 0.98015 (19) | 0.3682 (2) | 0.0250 (6) | |
C21 | 0.5301 (3) | 0.9093 (2) | 0.3930 (2) | 0.0299 (7) | |
H21 | 0.5187 | 0.8540 | 0.3677 | 0.036* | |
C22 | 0.6072 (3) | 0.9198 (2) | 0.4544 (2) | 0.0356 (8) | |
H22 | 0.6489 | 0.8715 | 0.4713 | 0.043* | |
C23 | 0.6240 (3) | 0.9998 (2) | 0.4915 (2) | 0.0365 (8) | |
H23 | 0.6767 | 1.0065 | 0.5342 | 0.044* | |
C24 | 0.5643 (3) | 1.0702 (2) | 0.4664 (2) | 0.0401 (9) | |
H24 | 0.5768 | 1.1255 | 0.4914 | 0.048* | |
C25 | 0.4865 (3) | 1.0608 (2) | 0.4053 (2) | 0.0362 (8) | |
H25 | 0.4451 | 1.1094 | 0.3887 | 0.043* | |
C26 | 0.2065 (2) | 0.8593 (2) | 0.46489 (19) | 0.0284 (7) | |
C27 | 0.2139 (3) | 0.9414 (2) | 0.5150 (2) | 0.0452 (9) | |
H27A | 0.1483 | 0.9745 | 0.5086 | 0.068* | |
H27B | 0.2731 | 0.9762 | 0.4937 | 0.068* | |
H27C | 0.2251 | 0.9277 | 0.5756 | 0.068* | |
C28 | −0.0892 (3) | 0.9341 (3) | 0.3905 (3) | 0.0584 (12) | |
H28A | −0.0235 | 0.9626 | 0.4079 | 0.088* | |
H28B | −0.1399 | 0.9362 | 0.4378 | 0.088* | |
H28C | −0.1187 | 0.9641 | 0.3406 | 0.088* | |
C29 | 0.1046 (3) | 0.6183 (2) | −0.0140 (2) | 0.0339 (8) | |
H29A | 0.0383 | 0.5980 | −0.0393 | 0.051* | |
H29B | 0.1589 | 0.5735 | −0.0212 | 0.051* | |
H29C | 0.1272 | 0.6718 | −0.0427 | 0.051* | |
C30 | −0.0119 (3) | 0.5751 (2) | 0.3337 (2) | 0.0311 (7) | |
H30A | 0.0555 | 0.5451 | 0.3248 | 0.047* | |
H30B | −0.0696 | 0.5328 | 0.3315 | 0.047* | |
H30C | −0.0115 | 0.6038 | 0.3897 | 0.047* | |
C31 | −0.2345 (2) | 0.81935 (19) | 0.2462 (2) | 0.0284 (7) | |
H31A | −0.3027 | 0.7887 | 0.2400 | 0.034* | |
H31B | −0.2249 | 0.8348 | 0.3073 | 0.034* | |
C32 | −0.3153 (3) | 0.9539 (2) | 0.2150 (2) | 0.0399 (8) | |
H32A | −0.3834 | 0.9252 | 0.2058 | 0.060* | |
H32B | −0.3104 | 1.0054 | 0.1783 | 0.060* | |
H32C | −0.3092 | 0.9714 | 0.2751 | 0.060* | |
C33 | 0.5015 (3) | 0.6510 (2) | 0.3335 (2) | 0.0445 (9) | |
H33A | 0.4696 | 0.6603 | 0.3899 | 0.067* | |
H33B | 0.5785 | 0.6529 | 0.3386 | 0.067* | |
H33C | 0.4800 | 0.5941 | 0.3113 | 0.067* | |
N1 | −0.02662 (19) | 0.63950 (15) | 0.26699 (16) | 0.0239 (5) | |
O1 | 0.20493 (15) | 0.87584 (12) | 0.38022 (12) | 0.0241 (4) | |
O2 | 0.2048 (2) | 0.78785 (15) | 0.49642 (14) | 0.0402 (6) | |
O3 | 0.08940 (16) | 0.63488 (13) | 0.07442 (13) | 0.0263 (5) | |
O4 | −0.27732 (15) | 0.68993 (14) | 0.12299 (15) | 0.0316 (5) | |
H4 | −0.2766 | 0.6427 | 0.1499 | 0.047* | |
O5 | −0.23341 (17) | 0.89599 (14) | 0.19455 (15) | 0.0349 (6) | |
O6 | −0.06838 (16) | 0.84649 (14) | 0.36913 (14) | 0.0328 (5) | |
O7 | 0.43716 (15) | 0.76827 (15) | 0.12268 (13) | 0.0309 (5) | |
H7 | 0.4897 | 0.7566 | 0.1534 | 0.046* | |
O8 | 0.46752 (16) | 0.71676 (14) | 0.27663 (14) | 0.0305 (5) | |
O9 | 0.39220 (15) | 0.89139 (13) | 0.26615 (14) | 0.0257 (5) | |
O10 | 0.25977 (17) | 0.66318 (13) | 0.37478 (14) | 0.0290 (5) | |
H10A | 0.2344 | 0.6755 | 0.4230 | 0.044* | |
O11 | 0.32507 (17) | 1.02599 (13) | 0.27820 (16) | 0.0349 (5) | |
H2 | 0.037 (2) | 0.8949 (9) | 0.297 (2) | 0.042* |