| x | y | z | Uiso*/Ueq | ||
| P1 | 0.63459 (3) | 0.16154 (3) | 0.07287 (3) | 0.01280 (8) | |
| Se1 | 0.589654 (11) | 0.097347 (10) | 0.218666 (12) | 0.01702 (5) | |
| C1 | 0.53424 (10) | 0.24106 (10) | −0.01384 (12) | 0.0147 (3) | |
| H1 | 0.564 | 0.2718 | −0.0762 | 0.018* | |
| C2 | 0.43736 (11) | 0.18232 (11) | −0.07302 (13) | 0.0193 (3) | |
| H2A | 0.4569 | 0.1344 | −0.1272 | 0.023* | |
| H2B | 0.4107 | 0.1458 | −0.0132 | 0.023* | |
| C3 | 0.35114 (11) | 0.24925 (11) | −0.14041 (14) | 0.0228 (3) | |
| H3A | 0.375 | 0.2799 | −0.206 | 0.027* | |
| H3B | 0.2881 | 0.2099 | −0.1733 | 0.027* | |
| C4 | 0.32313 (12) | 0.32877 (12) | −0.06224 (15) | 0.0239 (3) | |
| H4A | 0.2693 | 0.3722 | −0.1089 | 0.029* | |
| H4B | 0.2936 | 0.2985 | −0.0005 | 0.029* | |
| C5 | 0.41921 (12) | 0.38870 (11) | −0.00652 (14) | 0.0222 (3) | |
| H5A | 0.3998 | 0.4382 | 0.046 | 0.027* | |
| H5B | 0.4452 | 0.4234 | −0.068 | 0.027* | |
| C6 | 0.50595 (11) | 0.32336 (11) | 0.06286 (13) | 0.0193 (3) | |
| H6A | 0.4826 | 0.2944 | 0.1296 | 0.023* | |
| H6B | 0.5688 | 0.3634 | 0.0942 | 0.023* | |
| C7 | 0.66780 (10) | 0.06797 (10) | −0.02535 (12) | 0.0139 (3) | |
| H7 | 0.6056 | 0.0244 | −0.0499 | 0.017* | |
| C8 | 0.69309 (11) | 0.11074 (10) | −0.13626 (13) | 0.0174 (3) | |
| H8A | 0.6317 | 0.1473 | −0.1804 | 0.021* | |
| H8B | 0.7523 | 0.157 | −0.1145 | 0.021* | |
| C9 | 0.72156 (12) | 0.02992 (11) | −0.21352 (13) | 0.0198 (3) | |
| H9A | 0.6606 | −0.0136 | −0.24 | 0.024* | |
| H9B | 0.7393 | 0.0594 | −0.2833 | 0.024* | |
| C10 | 0.81410 (12) | −0.02969 (11) | −0.14730 (13) | 0.0205 (3) | |
| H10A | 0.8764 | 0.0128 | −0.1253 | 0.025* | |
| H10B | 0.8301 | −0.0824 | −0.1981 | 0.025* | |
| C11 | 0.78950 (12) | −0.07406 (11) | −0.03796 (13) | 0.0206 (3) | |
| H11A | 0.8515 | −0.11 | 0.0058 | 0.025* | |
| H11B | 0.7313 | −0.1213 | −0.0606 | 0.025* | |
| C12 | 0.75906 (11) | 0.00468 (10) | 0.04060 (12) | 0.0173 (3) | |
| H12A | 0.8203 | 0.0469 | 0.0712 | 0.021* | |
| H12B | 0.7388 | −0.0269 | 0.1078 | 0.021* | |
| C13 | 0.75153 (10) | 0.23630 (10) | 0.11383 (12) | 0.0137 (3) | |
| C14 | 0.77795 (11) | 0.30400 (10) | 0.03631 (12) | 0.0159 (3) | |
| H14 | 0.7302 | 0.3173 | −0.0356 | 0.019* | |
| C15 | 0.87363 (11) | 0.35183 (10) | 0.06399 (13) | 0.0171 (3) | |
| H15 | 0.8906 | 0.3976 | 0.0106 | 0.021* | |
| C16 | 0.94567 (10) | 0.33377 (10) | 0.16937 (12) | 0.0160 (3) | |
| C17 | 0.91711 (11) | 0.26870 (10) | 0.24719 (13) | 0.0167 (3) | |
| H17 | 0.9639 | 0.2567 | 0.3201 | 0.02* | |
| C18 | 0.82115 (11) | 0.22069 (10) | 0.22028 (12) | 0.0150 (3) | |
| H18 | 0.8031 | 0.1769 | 0.2751 | 0.018* | |
| C19 | 1.05187 (11) | 0.38265 (11) | 0.19607 (13) | 0.0193 (3) | |
| H19 | 1.0879 | 0.3646 | 0.2775 | 0.023* | |
| C20 | 1.11914 (12) | 0.34511 (13) | 0.11461 (15) | 0.0278 (4) | |
| H20A | 1.1266 | 0.2741 | 0.1225 | 0.042* | |
| H20B | 1.1884 | 0.3757 | 0.1354 | 0.042* | |
| H20C | 1.0855 | 0.3616 | 0.0339 | 0.042* | |
| C21 | 1.04331 (12) | 0.49378 (11) | 0.19028 (14) | 0.0241 (3) | |
| H21A | 1.0042 | 0.5134 | 0.1126 | 0.036* | |
| H21B | 1.1135 | 0.5223 | 0.2055 | 0.036* | |
| H21C | 1.0068 | 0.5169 | 0.249 | 0.036* |