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. 2017 Sep 15;73(Pt 10):1475–1478. doi: 10.1107/S2056989017012816
x y z Uiso*/Ueq
O1 0.7000 (9) 0.2747 (4) 1.1228 (2) 0.127 (2)
O2 0.2109 (5) 0.5554 (3) 0.68677 (10) 0.0712 (10)
O3 0.0663 (6) 0.3910 (4) 0.68208 (13) 0.0865 (12)
C1 0.4287 (7) 0.3773 (4) 1.02722 (13) 0.0568 (11)
H1A 0.3012 0.3872 1.0216 0.068*
H1B 0.4687 0.3118 1.0075 0.068*
C2 0.4602 (8) 0.3508 (4) 1.08081 (14) 0.0692 (14)
H2A 0.3999 0.4094 1.1005 0.083*
H2B 0.4059 0.2762 1.0884 0.083*
C3 0.6490 (8) 0.3471 (4) 1.09523 (16) 0.0674 (14)
C4 0.7745 (6) 0.4361 (3) 1.07509 (13) 0.0498 (10)
C5 0.7231 (6) 0.4658 (3) 1.02182 (11) 0.0415 (8)
H5 0.7540 0.3957 1.0031 0.050*
C6 0.8379 (6) 0.5589 (3) 0.99999 (13) 0.0482 (9)
H6A 0.9620 0.5455 1.0091 0.058*
H6B 0.8022 0.6339 1.0131 0.058*
C7 0.8213 (5) 0.5604 (3) 0.94485 (12) 0.0443 (8)
H7A 0.8673 0.4876 0.9319 0.053*
H7B 0.8953 0.6228 0.9319 0.053*
C8 0.6322 (5) 0.5770 (3) 0.92684 (11) 0.0347 (7)
C9 0.5071 (5) 0.4933 (3) 0.95387 (10) 0.0372 (8)
H9 0.5416 0.4159 0.9420 0.045*
C10 0.5260 (5) 0.4859 (3) 1.01054 (11) 0.0420 (8)
C11 0.3177 (5) 0.5085 (4) 0.93680 (12) 0.0460 (9)
H11A 0.2746 0.5839 0.9478 0.055*
H11B 0.2436 0.4494 0.9522 0.055*
C12 0.2954 (5) 0.5006 (3) 0.88168 (12) 0.0424 (8)
H12A 0.3119 0.4204 0.8715 0.051*
H12B 0.1743 0.5235 0.8730 0.051*
C13 0.4255 (5) 0.5761 (3) 0.85450 (11) 0.0326 (7)
H13 0.3992 0.6569 0.8634 0.039*
C14 0.6178 (4) 0.5509 (3) 0.87041 (11) 0.0321 (7)
C15 0.7510 (5) 0.6247 (3) 0.84160 (12) 0.0410 (8)
H15A 0.7459 0.7039 0.8539 0.049*
H15B 0.8708 0.5953 0.8478 0.049*
C16 0.7197 (5) 0.6269 (4) 0.78673 (12) 0.0457 (9)
H16A 0.7982 0.6842 0.7718 0.055*
H16B 0.7496 0.5514 0.7730 0.055*
C17 0.5299 (5) 0.6555 (3) 0.77439 (12) 0.0405 (8)
C18 0.4109 (4) 0.5670 (3) 0.79938 (11) 0.0336 (7)
H18 0.4567 0.4900 0.7903 0.040*
C19 0.2307 (5) 0.5807 (3) 0.77408 (12) 0.0415 (8)
H19 0.1522 0.6334 0.7925 0.050*
C20 0.1359 (5) 0.4732 (3) 0.76020 (13) 0.0460 (9)
C21 0.2797 (6) 0.6321 (4) 0.72350 (13) 0.0522 (10)
H21 0.2275 0.7099 0.7198 0.063*
C22 0.4785 (6) 0.6384 (4) 0.72141 (12) 0.0504 (10)
H22A 0.5178 0.7034 0.7013 0.060*
H22B 0.5291 0.5670 0.7083 0.060*
C30 0.1290 (6) 0.4657 (5) 0.70646 (16) 0.0625 (13)
C29 0.0717 (5) 0.3894 (4) 0.78608 (15) 0.0525 (10)
H29A 0.0215 0.3248 0.7706 0.063*
H29B 0.0754 0.3932 0.8203 0.063*
C26 0.5821 (6) 0.7027 (3) 0.93685 (12) 0.0470 (9)
H26A 0.6189 0.7235 0.9696 0.071*
H26B 0.4546 0.7118 0.9339 0.071*
H26C 0.6411 0.7523 0.9134 0.071*
C28 0.4863 (6) 0.7796 (3) 0.78893 (14) 0.0491 (9)
H28A 0.5315 0.7947 0.8214 0.074*
H28B 0.3587 0.7905 0.7886 0.074*
H28C 0.5410 0.8324 0.7660 0.074*
C27 0.6651 (5) 0.4251 (3) 0.85928 (11) 0.0382 (8)
H27A 0.6767 0.4150 0.8243 0.057*
H27B 0.5721 0.3750 0.8715 0.057*
H27C 0.7765 0.4057 0.8750 0.057*
C25 0.4458 (7) 0.5894 (4) 1.03594 (13) 0.0546 (11)
H25A 0.3345 0.6096 1.0203 0.082*
H25B 0.5271 0.6540 1.0338 0.082*
H25C 0.4243 0.5709 1.0699 0.082*
C24 0.7708 (7) 0.5395 (4) 1.10971 (13) 0.0584 (12)
H24A 0.6501 0.5677 1.1127 0.088*
H24B 0.8460 0.6002 1.0969 0.088*
H24C 0.8140 0.5161 1.1415 0.088*
C23 0.9581 (8) 0.3866 (5) 1.07703 (17) 0.0815 (18)
H23A 0.9834 0.3605 1.1099 0.122*
H23B 1.0434 0.4453 1.0677 0.122*
H23C 0.9665 0.3220 1.0547 0.122*