| x | y | z | Uiso*/Ueq | ||
| C1 | 0.39473 (17) | 0.49611 (14) | 0.67777 (9) | 0.0151 (3) | |
| C2 | 0.34636 (17) | 0.36454 (14) | 0.65512 (9) | 0.0159 (3) | |
| C3 | 0.17517 (18) | 0.35392 (15) | 0.66061 (10) | 0.0188 (4) | |
| H3 | 0.125910 | 0.313775 | 0.698918 | 0.023* | |
| C4 | 0.10926 (18) | 0.41275 (15) | 0.60044 (9) | 0.0190 (4) | |
| H4 | 0.002414 | 0.423058 | 0.586488 | 0.023* | |
| C5 | 0.23948 (17) | 0.46040 (14) | 0.55824 (9) | 0.0166 (3) | |
| H5 | 0.211134 | 0.478143 | 0.502604 | 0.020* | |
| C6 | 0.31682 (17) | 0.56580 (14) | 0.60653 (9) | 0.0156 (3) | |
| C7 | 0.46580 (18) | 0.61837 (14) | 0.57545 (9) | 0.0181 (3) | |
| H7 | 0.450625 | 0.648514 | 0.521478 | 0.022* | |
| C8 | 0.53785 (19) | 0.70697 (16) | 0.63430 (10) | 0.0223 (4) | |
| H8 | 0.534938 | 0.790901 | 0.630565 | 0.027* | |
| C9 | 0.60537 (19) | 0.64310 (16) | 0.69172 (10) | 0.0215 (4) | |
| H9 | 0.663054 | 0.671359 | 0.737022 | 0.026* | |
| C10 | 0.57077 (18) | 0.51491 (15) | 0.66959 (9) | 0.0173 (3) | |
| C11 | 0.67413 (18) | 0.41488 (15) | 0.70014 (9) | 0.0196 (4) | |
| H11A | 0.777907 | 0.426465 | 0.683886 | 0.023* | |
| H11B | 0.683028 | 0.415179 | 0.756980 | 0.023* | |
| C12 | 0.45739 (18) | 0.27365 (15) | 0.69121 (9) | 0.0187 (3) | |
| H12A | 0.456518 | 0.274715 | 0.747704 | 0.022* | |
| H12B | 0.426248 | 0.193647 | 0.672394 | 0.022* | |
| C13 | 0.68211 (18) | 0.24366 (16) | 0.61696 (10) | 0.0213 (4) | |
| C14 | 0.61562 (19) | 0.12361 (17) | 0.58786 (11) | 0.0268 (4) | |
| C15 | 0.34324 (19) | 0.52840 (15) | 0.75488 (9) | 0.0187 (4) | |
| C16 | 0.4132 (2) | 0.54441 (18) | 0.88782 (9) | 0.0294 (4) | |
| H16A | 0.502378 | 0.535376 | 0.926090 | 0.044* | |
| H16B | 0.332265 | 0.489567 | 0.899623 | 0.044* | |
| H16C | 0.375106 | 0.625921 | 0.888922 | 0.044* | |
| C17 | 0.20610 (18) | 0.66654 (15) | 0.61749 (9) | 0.0171 (3) | |
| C18 | −0.0373 (2) | 0.74427 (17) | 0.57152 (12) | 0.0332 (5) | |
| H18A | −0.136339 | 0.716249 | 0.547019 | 0.050* | |
| H18B | −0.001422 | 0.810491 | 0.541928 | 0.050* | |
| H18C | −0.048909 | 0.770680 | 0.623910 | 0.050* | |
| N1 | 0.61226 (15) | 0.30034 (12) | 0.67137 (8) | 0.0174 (3) | |
| O1 | 0.35051 (12) | 0.36756 (10) | 0.57348 (6) | 0.0157 (2) | |
| O2 | 0.57083 (12) | 0.52159 (10) | 0.58756 (6) | 0.0171 (3) | |
| O3 | 0.79898 (15) | 0.27623 (13) | 0.59189 (8) | 0.0386 (4) | |
| O4 | 0.45760 (13) | 0.51821 (11) | 0.81186 (6) | 0.0234 (3) | |
| O5 | 0.21495 (14) | 0.55547 (12) | 0.76498 (7) | 0.0274 (3) | |
| O6 | 0.07292 (13) | 0.64922 (10) | 0.57403 (7) | 0.0226 (3) | |
| O7 | 0.23490 (14) | 0.75410 (11) | 0.65517 (7) | 0.0263 (3) | |
| F1 | 0.60895 (14) | 0.04589 (10) | 0.64497 (7) | 0.0422 (3) | |
| F2 | 0.47566 (12) | 0.13074 (10) | 0.55061 (6) | 0.0350 (3) | |
| F3 | 0.70476 (14) | 0.07621 (12) | 0.53923 (8) | 0.0509 (4) |