x | y | z | Uiso*/Ueq | Occ. (<1) | |
N1 | −0.08400 (18) | 0.74686 (19) | 0.49897 (9) | 0.0410 (6) | |
N2A | 0.1170 (5) | 0.7384 (5) | 0.5420 (2) | 0.0353 (16) | 0.615 (3) |
C1 | −0.0060 (2) | 0.8077 (2) | 0.45077 (12) | 0.0403 (7) | |
C2A | 0.1231 (6) | 0.8099 (6) | 0.4794 (3) | 0.0360 (17) | 0.615 (3) |
C3 | −0.0081 (2) | 0.6952 (2) | 0.54940 (11) | 0.0402 (7) | |
C4 | −0.0590 (2) | 0.6243 (2) | 0.61210 (11) | 0.0394 (7) | |
C5 | 0.0089 (2) | 0.5150 (2) | 0.64866 (11) | 0.0437 (7) | |
C6 | −0.0425 (2) | 0.4520 (3) | 0.70782 (12) | 0.0486 (8) | |
C7 | −0.1627 (3) | 0.4953 (3) | 0.73117 (12) | 0.0515 (8) | |
C8 | −0.2316 (2) | 0.6021 (3) | 0.69493 (13) | 0.0489 (8) | |
C9 | −0.1804 (2) | 0.6654 (3) | 0.63597 (13) | 0.0454 (8) | |
C10 | −0.0566 (2) | 0.8751 (2) | 0.38715 (11) | 0.0390 (7) | |
C11 | −0.1781 (2) | 0.8326 (3) | 0.36242 (12) | 0.0441 (8) | |
C12 | −0.2281 (2) | 0.8935 (3) | 0.30231 (12) | 0.0482 (8) | |
C13 | −0.1588 (2) | 0.9992 (3) | 0.26605 (12) | 0.0496 (8) | |
C14 | −0.0392 (2) | 1.0439 (3) | 0.29035 (12) | 0.0494 (8) | |
C15 | 0.0118 (2) | 0.9824 (2) | 0.35016 (11) | 0.0429 (7) | |
C16A | 0.2459 (4) | 0.8604 (4) | 0.44996 (18) | 0.0334 (11) | 0.615 (3) |
C17A | 0.2941 (6) | 0.9947 (9) | 0.4667 (4) | 0.0396 (16) | 0.615 (3) |
C18A | 0.4150 (3) | 1.0459 (4) | 0.43689 (18) | 0.0403 (11) | 0.615 (3) |
C19A | 0.4771 (4) | 0.9553 (5) | 0.39306 (19) | 0.0470 (14) | 0.615 (3) |
C20A | 0.4300 (4) | 0.8172 (5) | 0.3761 (2) | 0.0543 (14) | 0.615 (3) |
C21A | 0.3143 (5) | 0.7684 (5) | 0.4041 (2) | 0.0500 (16) | 0.615 (3) |
C22A | 0.2230 (4) | 0.7339 (5) | 0.5920 (2) | 0.0505 (10) | 0.615 (3) |
C23A | 0.3217 (4) | 0.6142 (5) | 0.5810 (2) | 0.0505 (10) | 0.615 (3) |
C24A | 0.3129 (6) | 0.5098 (6) | 0.5380 (2) | 0.0505 (10) | 0.615 (3) |
C24B | 0.3213 (17) | 0.999 (2) | 0.4606 (8) | 0.060 (2) | 0.385 (3) |
C17B | 0.2961 (4) | 0.5016 (5) | 0.5314 (2) | 0.085 (4) | 0.385 (3) |
C18B | 0.4132 (4) | 0.4561 (4) | 0.5598 (2) | 0.0480 (19) | 0.385 (3) |
C19B | 0.4774 (3) | 0.5477 (5) | 0.6067 (2) | 0.058 (2) | 0.385 (3) |
C20B | 0.4245 (4) | 0.6848 (5) | 0.6252 (2) | 0.063 (3) | 0.385 (3) |
N2B | 0.1125 (8) | 0.7634 (8) | 0.4574 (4) | 0.039 (2) | 0.385 (3) |
C2B | 0.1184 (10) | 0.6892 (9) | 0.5210 (5) | 0.038 (3) | 0.385 (3) |
C16B | 0.2432 (3) | 0.6387 (5) | 0.5499 (2) | 0.0393 (19) | 0.385 (3) |
C23B | 0.3136 (8) | 0.8876 (10) | 0.4214 (4) | 0.060 (2) | 0.385 (3) |
C21B | 0.3074 (4) | 0.7303 (4) | 0.5968 (2) | 0.059 (3) | 0.385 (3) |
C22B | 0.2197 (8) | 0.7681 (9) | 0.4076 (4) | 0.060 (2) | 0.385 (3) |
H6 | 0.00520 | 0.37850 | 0.73250 | 0.0580* | |
H7 | −0.19750 | 0.45210 | 0.77180 | 0.0620* | |
H8 | −0.31430 | 0.63210 | 0.71050 | 0.0590* | |
H9 | −0.22900 | 0.73820 | 0.61130 | 0.0540* | |
H5 | 0.09120 | 0.48350 | 0.63290 | 0.0530* | |
H22B | 0.26730 | 0.83200 | 0.59130 | 0.0610* | 0.615 (3) |
H23A | 0.39730 | 0.61750 | 0.60890 | 0.0610* | 0.615 (3) |
H24A | 0.23890 | 0.50240 | 0.50900 | 0.0610* | 0.615 (3) |
H24B | 0.38020 | 0.43820 | 0.53430 | 0.0610* | 0.615 (3) |
H11 | −0.22710 | 0.76080 | 0.38720 | 0.0530* | |
H12 | −0.31050 | 0.86250 | 0.28590 | 0.0580* | |
H13 | −0.19300 | 1.04080 | 0.22470 | 0.0600* | |
H14 | 0.00840 | 1.11730 | 0.26590 | 0.0590* | |
H15 | 0.09440 | 1.01370 | 0.36610 | 0.0510* | |
H17A | 0.24920 | 1.05690 | 0.49830 | 0.0480* | 0.615 (3) |
H18A | 0.44920 | 1.14150 | 0.44820 | 0.0490* | 0.615 (3) |
H19A | 0.55590 | 0.98800 | 0.37330 | 0.0560* | 0.615 (3) |
H20A | 0.47620 | 0.75470 | 0.34530 | 0.0650* | 0.615 (3) |
H21A | 0.28130 | 0.67260 | 0.39230 | 0.0600* | 0.615 (3) |
H22A | 0.18590 | 0.72080 | 0.63850 | 0.0610* | 0.615 (3) |
H17B | 0.25230 | 0.43900 | 0.49930 | 0.1020* | 0.385 (3) |
H18B | 0.44940 | 0.36250 | 0.54720 | 0.0570* | 0.385 (3) |
H19B | 0.55740 | 0.51670 | 0.62610 | 0.0700* | 0.385 (3) |
H20B | 0.46830 | 0.74740 | 0.65720 | 0.0760* | 0.385 (3) |
H21B | 0.27130 | 0.82390 | 0.60940 | 0.0710* | 0.385 (3) |
H22C | 0.26510 | 0.67060 | 0.40850 | 0.0730* | 0.385 (3) |
H22D | 0.18350 | 0.78200 | 0.36070 | 0.0730* | 0.385 (3) |
H23B | 0.38800 | 0.87800 | 0.39330 | 0.0730* | 0.385 (3) |
H24C | 0.25300 | 1.02150 | 0.49140 | 0.0730* | 0.385 (3) |
H24D | 0.39560 | 1.06170 | 0.45950 | 0.0730* | 0.385 (3) |