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. 2023 Jul 21;79(Pt 8):741–746. doi: 10.1107/S2056989023006096
x y z Uiso*/Ueq
C1 0.2549 (6) 0.32808 (15) −0.0285 (6) 0.0669 (12)
C2 0.2360 (6) 0.33934 (17) −0.1918 (6) 0.0778 (14)
H2 0.311900 0.355578 −0.207042 0.093*
C3 0.1029 (7) 0.32600 (17) −0.3309 (7) 0.0825 (15)
H3 0.089065 0.333320 −0.441041 0.099*
C4 −0.0110 (6) 0.30184 (16) −0.3096 (6) 0.0763 (14)
H4 −0.100010 0.293249 −0.405677 0.092*
C5 0.0054 (6) 0.29044 (15) −0.1498 (6) 0.0722 (13)
H5 −0.071951 0.274308 −0.137015 0.087*
C6 0.1408 (5) 0.30337 (14) −0.0042 (5) 0.0626 (11)
C7 0.1836 (6) 0.29535 (14) 0.1732 (6) 0.0673 (12)
H7 0.122120 0.279321 0.212083 0.081*
C8 0.3227 (5) 0.31338 (13) 0.2798 (5) 0.0609 (11)
C9 0.3969 (6) 0.31034 (15) 0.4648 (6) 0.0682 (12)
H9 0.350312 0.292242 0.514847 0.082*
C10 0.5265 (6) 0.33107 (14) 0.5712 (6) 0.0633 (12)
H10 0.571084 0.350331 0.523168 0.076*
C11 0.6030 (5) 0.32555 (13) 0.7581 (5) 0.0586 (11)
C12 0.5852 (6) 0.28800 (14) 0.8336 (6) 0.0659 (12)
H12 0.521274 0.266825 0.763600 0.079*
C13 0.6595 (6) 0.28137 (15) 1.0084 (6) 0.0702 (13)
H13 0.646816 0.256223 1.056735 0.084*
C14 0.7527 (6) 0.31322 (16) 1.1085 (6) 0.0718 (13)
C15 0.7743 (6) 0.35085 (15) 1.0435 (6) 0.0694 (13)
H15 0.836300 0.371959 1.115842 0.083*
C16 0.7016 (5) 0.35672 (13) 0.8677 (5) 0.0585 (11)
C17 0.6526 (6) 0.45543 (14) 0.9821 (6) 0.0688 (13)
C18 0.5818 (8) 0.43930 (18) 1.0789 (7) 0.0899 (17)
H18 0.505581 0.418355 1.033546 0.108*
C19 0.6226 (9) 0.4539 (2) 1.2444 (9) 0.106 (2)
H19 0.574503 0.442786 1.310278 0.128*
C20 0.7344 (9) 0.4848 (2) 1.3093 (9) 0.109 (2)
H20 0.762946 0.494415 1.420623 0.131*
C21 0.8042 (9) 0.5017 (2) 1.2151 (9) 0.109 (2)
H21 0.878624 0.523052 1.260868 0.130*
C22 0.7647 (7) 0.48710 (16) 1.0491 (7) 0.0872 (16)
H22 0.812980 0.498474 0.983836 0.105*
C23 0.8877 (6) 0.40504 (16) 0.8143 (7) 0.0763 (14)
H23A 0.925473 0.380835 0.773623 0.092*
H23B 0.882648 0.428675 0.740500 0.092*
C24 1.0039 (6) 0.41494 (15) 0.9891 (7) 0.0764 (14)
C25 1.0953 (7) 0.42202 (17) 1.1328 (8) 0.0886 (17)
C26 1.2031 (8) 0.4310 (2) 1.3114 (8) 0.117 (2)
H26A 1.143024 0.438114 1.374590 0.175*
H26B 1.270375 0.454214 1.315234 0.175*
H26C 1.266516 0.406545 1.361637 0.175*
N1 0.7255 (4) 0.39583 (10) 0.7947 (5) 0.0613 (10)
O1 0.4505 (4) 0.41733 (11) 0.7156 (4) 0.0851 (11)
O2 0.6400 (5) 0.46681 (11) 0.6790 (5) 0.0949 (12)
S1 0.40923 (16) 0.34048 (5) 0.16627 (16) 0.0776 (5)
S2 0.60508 (16) 0.43535 (4) 0.77698 (15) 0.0715 (4)
F1 0.8245 (4) 0.30760 (10) 1.2817 (3) 0.0982 (10)