x | y | z | Uiso*/Ueq | ||
C1 | 0.8370 (2) | 0.8256 (3) | 0.40271 (13) | 0.0317 (5) | |
C2 | 0.7484 (3) | 0.9348 (3) | 0.42442 (13) | 0.0329 (5) | |
H2 | 0.773837 | 0.997474 | 0.464122 | 0.040* | |
C3 | 0.6214 (3) | 0.9505 (3) | 0.38673 (13) | 0.0318 (5) | |
H3 | 0.561128 | 1.023849 | 0.401135 | 0.038* | |
C4 | 0.5837 (2) | 0.8566 (3) | 0.32725 (12) | 0.0291 (5) | |
C5 | 0.6759 (2) | 0.7494 (3) | 0.30579 (13) | 0.0335 (6) | |
H5 | 0.652069 | 0.688099 | 0.265528 | 0.040* | |
C6 | 0.8023 (2) | 0.7329 (3) | 0.34361 (13) | 0.0330 (5) | |
H6 | 0.863287 | 0.660176 | 0.329374 | 0.040* | |
C7 | 0.3486 (2) | 0.8532 (3) | 0.30665 (13) | 0.0289 (5) | |
C8 | 0.2203 (2) | 0.8607 (3) | 0.25828 (13) | 0.0322 (5) | |
C9 | 0.1038 (3) | 0.9201 (4) | 0.27901 (15) | 0.0402 (6) | |
H9 | 0.104682 | 0.955946 | 0.324621 | 0.048* | |
C10 | −0.0139 (3) | 0.9263 (4) | 0.23202 (17) | 0.0480 (8) | |
H10 | −0.091026 | 0.969215 | 0.245795 | 0.058* | |
C11 | −0.0170 (3) | 0.8691 (4) | 0.16500 (17) | 0.0521 (8) | |
H11 | −0.096307 | 0.872138 | 0.133672 | 0.062* | |
C12 | 0.0979 (3) | 0.8075 (4) | 0.14449 (18) | 0.0547 (8) | |
H12 | 0.095682 | 0.767683 | 0.099394 | 0.066* | |
C13 | 0.2163 (3) | 0.8044 (4) | 0.19061 (15) | 0.0458 (7) | |
H13 | 0.293727 | 0.764354 | 0.176137 | 0.055* | |
C14 | 0.3371 (2) | 0.8150 (3) | 0.38222 (12) | 0.0292 (5) | |
C15 | 0.3471 (2) | 0.6436 (3) | 0.40449 (12) | 0.0268 (5) | |
C16 | 0.3846 (2) | 0.5223 (3) | 0.36134 (12) | 0.0306 (5) | |
H16 | 0.403267 | 0.548117 | 0.317048 | 0.037* | |
C17 | 0.3940 (3) | 0.3635 (3) | 0.38435 (14) | 0.0359 (6) | |
H17 | 0.420029 | 0.282786 | 0.355635 | 0.043* | |
C18 | 0.3652 (3) | 0.3243 (3) | 0.44943 (14) | 0.0377 (6) | |
H18 | 0.370854 | 0.216977 | 0.464414 | 0.045* | |
C19 | 0.3277 (3) | 0.4438 (3) | 0.49268 (14) | 0.0363 (6) | |
H19 | 0.308420 | 0.416916 | 0.536746 | 0.044* | |
C20 | 0.3191 (2) | 0.6030 (3) | 0.47047 (12) | 0.0311 (5) | |
H20 | 0.294378 | 0.683342 | 0.499741 | 0.037* | |
Cl1 | 0.99595 (7) | 0.80122 (10) | 0.45011 (4) | 0.0468 (3) | |
N1 | 0.4585 (2) | 0.8715 (3) | 0.28342 (10) | 0.0312 (5) | |
O1 | 0.31698 (19) | 0.9261 (2) | 0.42112 (10) | 0.0386 (5) |