x | y | z | Uiso*/Ueq | Occ. (<1) | |
N1 | 0.50355 (15) | 0.28624 (11) | 0.24318 (6) | 0.0153 (3) | |
N2 | 0.82331 (16) | 0.41649 (12) | 0.19964 (6) | 0.0182 (3) | |
C1 | 0.67739 (18) | 0.36376 (13) | 0.26429 (7) | 0.0152 (3) | |
C2 | 0.35124 (18) | 0.22197 (14) | 0.30471 (7) | 0.0165 (3) | |
H2 | 0.233313 | 0.167725 | 0.285731 | 0.0198* | |
C3 | 0.36539 (18) | 0.23424 (14) | 0.39257 (7) | 0.0180 (3) | |
C4 | 0.54266 (19) | 0.31918 (15) | 0.41642 (7) | 0.0200 (3) | |
H4 | 0.556083 | 0.332079 | 0.477169 | 0.024* | |
C5 | 0.69461 (19) | 0.38301 (14) | 0.35491 (7) | 0.0186 (3) | |
H5 | 0.811136 | 0.439959 | 0.372833 | 0.0223* | |
C6 | 0.2014 (2) | 0.16274 (17) | 0.46143 (8) | 0.0262 (4) | |
H6a | 0.118019 | 0.252439 | 0.498084 | 0.0394* | |
H6b | 0.090144 | 0.110743 | 0.432458 | 0.0394* | |
H6c | 0.289083 | 0.078457 | 0.498608 | 0.0394* | |
O1 | 0.17284 (13) | 0.61818 (10) | 0.14277 (5) | 0.0201 (2) | |
O2 | 0.10549 (15) | 0.60964 (11) | 0.31689 (5) | 0.0252 (3) | |
O3 | 0.28472 (15) | 0.76461 (12) | 0.38855 (5) | 0.0275 (3) | |
O4 | 0.93312 (14) | 0.99538 (11) | 0.26216 (6) | 0.0242 (3) | |
O5 | 0.99966 (15) | 1.02486 (11) | 0.11988 (6) | 0.0279 (3) | |
O6 | 0.55543 (14) | 0.76370 (11) | −0.07523 (5) | 0.0224 (3) | |
O7 | 0.26607 (14) | 0.63258 (10) | −0.01549 (5) | 0.0199 (2) | |
N3 | 0.25052 (15) | 0.70323 (12) | 0.31961 (6) | 0.0172 (3) | |
N4 | 0.89095 (16) | 0.97282 (12) | 0.18597 (6) | 0.0190 (3) | |
C7 | 0.33912 (17) | 0.70052 (13) | 0.15501 (7) | 0.0141 (3) | |
C8 | 0.38900 (17) | 0.74506 (13) | 0.23906 (7) | 0.0144 (3) | |
C9 | 0.56997 (17) | 0.83259 (13) | 0.24874 (7) | 0.0156 (3) | |
H9 | 0.601439 | 0.859704 | 0.305724 | 0.0187* | |
C10 | 0.70326 (17) | 0.87968 (13) | 0.17493 (7) | 0.0154 (3) | |
C11 | 0.66121 (18) | 0.84357 (13) | 0.09021 (7) | 0.0157 (3) | |
H11 | 0.753695 | 0.879143 | 0.040052 | 0.0188* | |
C12 | 0.48279 (17) | 0.75522 (13) | 0.08058 (7) | 0.0139 (3) | |
C13 | 0.43623 (18) | 0.71649 (13) | −0.01006 (7) | 0.0165 (3) | |
H1o7 | 0.20768 | 0.615457 | 0.041923 | 0.044 (6)* | 0.62 (3) |
H1o1 | 0.186813 | 0.613081 | 0.081569 | 0.044 (6)* | 0.38 (3) |
H2a | 0.809476 | 0.397973 | 0.143402 | 0.035 (4)* | |
H2b | 0.928572 | 0.469891 | 0.211657 | 0.048 (5)* | |
H1 | 0.481117 | 0.276133 | 0.186443 | 0.032 (4)* |