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. 2023 Jan 31;8(Pt 1):x230065. doi: 10.1107/S2414314623000652
x y z Uiso*/Ueq
C1 0.8370 (2) 0.8256 (3) 0.40271 (13) 0.0317 (5)
C2 0.7484 (3) 0.9348 (3) 0.42442 (13) 0.0329 (5)
H2 0.773837 0.997474 0.464122 0.040*
C3 0.6214 (3) 0.9505 (3) 0.38673 (13) 0.0318 (5)
H3 0.561128 1.023849 0.401135 0.038*
C4 0.5837 (2) 0.8566 (3) 0.32725 (12) 0.0291 (5)
C5 0.6759 (2) 0.7494 (3) 0.30579 (13) 0.0335 (6)
H5 0.652069 0.688099 0.265528 0.040*
C6 0.8023 (2) 0.7329 (3) 0.34361 (13) 0.0330 (5)
H6 0.863287 0.660176 0.329374 0.040*
C7 0.3486 (2) 0.8532 (3) 0.30665 (13) 0.0289 (5)
C8 0.2203 (2) 0.8607 (3) 0.25828 (13) 0.0322 (5)
C9 0.1038 (3) 0.9201 (4) 0.27901 (15) 0.0402 (6)
H9 0.104682 0.955946 0.324621 0.048*
C10 −0.0139 (3) 0.9263 (4) 0.23202 (17) 0.0480 (8)
H10 −0.091026 0.969215 0.245795 0.058*
C11 −0.0170 (3) 0.8691 (4) 0.16500 (17) 0.0521 (8)
H11 −0.096307 0.872138 0.133672 0.062*
C12 0.0979 (3) 0.8075 (4) 0.14449 (18) 0.0547 (8)
H12 0.095682 0.767683 0.099394 0.066*
C13 0.2163 (3) 0.8044 (4) 0.19061 (15) 0.0458 (7)
H13 0.293727 0.764354 0.176137 0.055*
C14 0.3371 (2) 0.8150 (3) 0.38222 (12) 0.0292 (5)
C15 0.3471 (2) 0.6436 (3) 0.40449 (12) 0.0268 (5)
C16 0.3846 (2) 0.5223 (3) 0.36134 (12) 0.0306 (5)
H16 0.403267 0.548117 0.317048 0.037*
C17 0.3940 (3) 0.3635 (3) 0.38435 (14) 0.0359 (6)
H17 0.420029 0.282786 0.355635 0.043*
C18 0.3652 (3) 0.3243 (3) 0.44943 (14) 0.0377 (6)
H18 0.370854 0.216977 0.464414 0.045*
C19 0.3277 (3) 0.4438 (3) 0.49268 (14) 0.0363 (6)
H19 0.308420 0.416916 0.536746 0.044*
C20 0.3191 (2) 0.6030 (3) 0.47047 (12) 0.0311 (5)
H20 0.294378 0.683342 0.499741 0.037*
Cl1 0.99595 (7) 0.80122 (10) 0.45011 (4) 0.0468 (3)
N1 0.4585 (2) 0.8715 (3) 0.28342 (10) 0.0312 (5)
O1 0.31698 (19) 0.9261 (2) 0.42112 (10) 0.0386 (5)