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. 2018 Aug 24;74(Pt 9):1344–1357. doi: 10.1107/S2056989018011544
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)*