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. 2020 Jan 3;76(Pt 2):125–131. doi: 10.1107/S2056989019017018
x y z Uiso*/Ueq
O1 0.34009 (10) 0.80683 (6) 0.16928 (9) 0.0235 (2)
O2 0.31457 (11) 0.54998 (7) 0.51900 (11) 0.0331 (3)
O3 0.19449 (10) 0.64051 (6) 0.40339 (10) 0.0256 (2)
N1 0.61943 (12) 0.65569 (7) 0.47273 (11) 0.0182 (3)
H1 0.6990 (19) 0.6551 (11) 0.5295 (18) 0.032 (5)*
C2 0.52536 (13) 0.62310 (7) 0.49757 (12) 0.0177 (3)
C3 0.40249 (13) 0.63374 (7) 0.42341 (12) 0.0169 (3)
C4 0.36056 (13) 0.68248 (7) 0.31263 (12) 0.0153 (3)
H4 0.304711 0.721153 0.322453 0.018*
C5 0.47314 (13) 0.72274 (7) 0.30848 (12) 0.0152 (3)
C6 0.44911 (13) 0.78495 (7) 0.22944 (12) 0.0170 (3)
C7 0.55990 (14) 0.82620 (8) 0.22492 (13) 0.0202 (3)
H7A 0.575271 0.870831 0.274940 0.024*
H7B 0.536301 0.842425 0.141710 0.024*
C8 0.68311 (14) 0.78268 (8) 0.26676 (13) 0.0199 (3)
C9 0.70717 (13) 0.74830 (8) 0.38790 (13) 0.0188 (3)
H9A 0.778956 0.713567 0.410903 0.023*
H9B 0.731471 0.787529 0.449080 0.023*
C10 0.59379 (13) 0.70822 (7) 0.38663 (12) 0.0158 (3)
C11 0.67348 (15) 0.72310 (9) 0.17535 (14) 0.0260 (3)
H11A 0.602860 0.690143 0.164169 0.039*
H11B 0.752376 0.694870 0.204489 0.039*
H11C 0.659039 0.746243 0.098998 0.039*
C12 0.79290 (15) 0.83464 (9) 0.28370 (15) 0.0262 (3)
H12A 0.872397 0.806942 0.314765 0.039*
H12B 0.797430 0.873461 0.340391 0.039*
H12C 0.779071 0.856745 0.206789 0.039*
C13 0.57721 (15) 0.58079 (8) 0.61266 (13) 0.0240 (3)
H13A 0.663101 0.597854 0.662873 0.036*
H13B 0.579314 0.528329 0.595650 0.036*
H13C 0.523073 0.588557 0.654582 0.036*
C14 0.30380 (14) 0.60270 (8) 0.45520 (13) 0.0215 (3)
C15 0.08506 (16) 0.61002 (11) 0.41441 (16) 0.0340 (4)
H15A 0.023216 0.649703 0.404172 0.041*
H15B 0.111372 0.589143 0.495409 0.041*
C16 0.0228 (2) 0.55080 (12) 0.32261 (18) 0.0466 (5)
H16A 0.080715 0.509048 0.338088 0.070*
H16B 0.002429 0.570354 0.242627 0.070*
H16C −0.055015 0.534573 0.327545 0.070*
C17 0.27883 (12) 0.64059 (7) 0.19723 (12) 0.0149 (3)
C18 0.33088 (13) 0.58220 (7) 0.15614 (12) 0.0151 (3)
C19 0.46066 (13) 0.55974 (8) 0.21467 (12) 0.0171 (3)
H19 0.515995 0.585501 0.283915 0.021*
C20 0.50692 (14) 0.50254 (8) 0.17387 (13) 0.0199 (3)
H20 0.593432 0.489206 0.215031 0.024*
C21 0.42774 (15) 0.46271 (8) 0.07091 (14) 0.0223 (3)
H21 0.460922 0.422798 0.043432 0.027*
C22 0.30435 (14) 0.48181 (8) 0.01176 (13) 0.0206 (3)
H22 0.251852 0.455228 −0.057734 0.025*
C23 0.25166 (13) 0.54115 (8) 0.05188 (12) 0.0174 (3)
C24 0.12363 (14) 0.55804 (8) −0.00657 (12) 0.0192 (3)
H24 0.071627 0.530269 −0.074803 0.023*
C25 0.06980 (13) 0.61454 (8) 0.03234 (12) 0.0178 (3)
C26 0.14856 (13) 0.65780 (7) 0.13450 (12) 0.0162 (3)
C27 0.08637 (13) 0.71596 (8) 0.16756 (13) 0.0191 (3)
H27 0.135306 0.747691 0.231472 0.023*
C28 −0.04097 (14) 0.72696 (8) 0.10984 (14) 0.0220 (3)
H28 −0.078874 0.765462 0.135365 0.026*
C29 −0.11792 (14) 0.68199 (8) 0.01238 (14) 0.0228 (3)
H29 −0.206831 0.689377 −0.025495 0.027*
C30 −0.06317 (14) 0.62827 (8) −0.02621 (13) 0.0210 (3)
H30 −0.114157 0.599310 −0.093293 0.025*