Skip to main content
. 2019 Mar 26;75(Pt 4):492–498. doi: 10.1107/S2056989019003700
x y z Uiso*/Ueq
O1 0.29552 (8) 1.00618 (8) 0.68647 (4) 0.0441 (3)
O2 0.13197 (9) 0.92768 (9) 0.61850 (5) 0.0507 (3)
N1 0.28301 (15) 1.24578 (13) 0.77525 (6) 0.0595 (4)
H1A 0.2548 (17) 1.3017 (16) 0.7892 (9) 0.081 (7)*
N2 0.22677 (12) 1.14540 (11) 0.86379 (6) 0.0491 (3)
N3 0.29188 (11) 0.98503 (10) 0.82932 (5) 0.0453 (3)
N4 0.31364 (11) 1.06389 (11) 0.78728 (6) 0.0455 (3)
N5 0.13813 (13) 0.89571 (14) 1.04161 (7) 0.0604 (4)
C1 0.13984 (16) 1.25155 (14) 0.64423 (8) 0.0553 (5)
H1 0.144023 1.324469 0.649710 0.066*
C2 0.05311 (15) 1.20940 (16) 0.60829 (9) 0.0625 (5)
H2 −0.001899 1.253997 0.589972 0.075*
C3 0.04590 (14) 1.10106 (15) 0.59873 (8) 0.0531 (5)
H3 −0.013911 1.073106 0.574462 0.064*
C4 0.12779 (13) 1.03541 (13) 0.62538 (7) 0.0425 (4)
C5 0.21547 (13) 1.07829 (12) 0.66266 (6) 0.0403 (4)
C6 0.22189 (14) 1.18600 (12) 0.67265 (7) 0.0437 (4)
C7 0.31960 (15) 1.23155 (13) 0.71187 (7) 0.0518 (5)
H7 0.345007 1.299766 0.695115 0.062*
C8 0.42279 (14) 1.15486 (13) 0.71098 (8) 0.0528 (4)
H8A 0.455901 1.150691 0.670365 0.063*
H8B 0.484397 1.178879 0.738475 0.063*
C9 0.37794 (13) 1.04721 (13) 0.73060 (7) 0.0436 (4)
C10 0.47358 (13) 0.96458 (14) 0.73722 (7) 0.0548 (5)
H10A 0.531162 0.988226 0.766340 0.082*
H10B 0.438977 0.899338 0.750878 0.082*
H10C 0.511468 0.953579 0.698666 0.082*
C11 0.27338 (14) 1.15751 (13) 0.80925 (7) 0.0465 (4)
C12 0.24111 (13) 1.03928 (13) 0.87389 (7) 0.0439 (4)
C13 0.20625 (13) 0.98919 (13) 0.93123 (7) 0.0441 (4)
C14 0.16193 (14) 1.04894 (15) 0.97868 (7) 0.0545 (5)
H14 0.153807 1.121901 0.974754 0.065*
C15 0.12990 (15) 0.99893 (17) 1.03192 (8) 0.0610 (5)
H15 0.100395 1.040698 1.063278 0.073*
C16 0.18286 (15) 0.84001 (17) 0.99569 (8) 0.0589 (5)
H16 0.191250 0.767376 1.001142 0.071*
C17 0.21758 (14) 0.88170 (13) 0.94085 (8) 0.0527 (4)
H17 0.248277 0.838119 0.910630 0.063*
C18 0.04328 (16) 0.87855 (15) 0.58270 (9) 0.0687 (6)
H18A 0.054849 0.803252 0.583059 0.103*
H18B 0.048312 0.904149 0.541693 0.103*
H18C −0.033421 0.894966 0.599078 0.103*