x | y | z | Uiso*/Ueq | ||
O1 | 0.7767 (3) | 0.66156 (13) | 0.23880 (7) | 0.0443 (4) | |
O2 | 1.0695 (3) | 0.80853 (13) | 0.05050 (7) | 0.0477 (5) | |
C1 | 0.9085 (4) | 0.56254 (19) | 0.23598 (11) | 0.0417 (6) | |
C2 | 1.1009 (4) | 0.5878 (2) | 0.19907 (11) | 0.0458 (6) | |
H2 | 1.2221 | 0.5486 | 0.2080 | 0.055* | |
C3 | 1.1042 (4) | 0.6644 (2) | 0.15409 (11) | 0.0424 (6) | |
H3 | 1.2243 | 0.6754 | 0.1303 | 0.051* | |
C4 | 0.9211 (4) | 0.73112 (18) | 0.14167 (10) | 0.0326 (5) | |
C5 | 0.7586 (4) | 0.72632 (18) | 0.18500 (10) | 0.0370 (6) | |
C6 | 0.5850 (4) | 0.7914 (2) | 0.17877 (12) | 0.0479 (6) | |
H6 | 0.4783 | 0.7876 | 0.2085 | 0.057* | |
C7 | 0.5712 (4) | 0.8631 (2) | 0.12745 (12) | 0.0466 (6) | |
H7 | 0.4530 | 0.9070 | 0.1230 | 0.056* | |
C8 | 0.7277 (4) | 0.87146 (18) | 0.08254 (11) | 0.0366 (5) | |
C9 | 0.9013 (4) | 0.80460 (18) | 0.09051 (10) | 0.0340 (5) | |
C10 | 1.0643 (4) | 0.88701 (19) | −0.00121 (10) | 0.0431 (6) | |
H10A | 1.0019 | 0.8517 | −0.0380 | 0.052* | |
H10B | 1.2055 | 0.9076 | −0.0123 | 0.052* | |
C11 | 0.9426 (4) | 0.99118 (18) | 0.01485 (10) | 0.0357 (5) | |
H11 | 1.0017 | 1.0217 | 0.0540 | 0.043* | |
C12 | 0.7201 (4) | 0.95505 (19) | 0.02970 (12) | 0.0435 (6) | |
H12A | 0.6376 | 1.0188 | 0.0424 | 0.052* | |
H12B | 0.6567 | 0.9223 | −0.0076 | 0.052* | |
C13 | 0.9633 (4) | 1.07917 (18) | −0.03561 (10) | 0.0353 (5) | |
C14 | 1.1391 (4) | 1.14759 (18) | −0.03656 (10) | 0.0364 (6) | |
C15 | 1.1636 (4) | 1.23098 (19) | −0.08114 (11) | 0.0378 (5) | |
H15 | 1.2811 | 1.2760 | −0.0802 | 0.045* | |
C16 | 1.0135 (4) | 1.24727 (18) | −0.12703 (10) | 0.0372 (6) | |
C17 | 0.8386 (4) | 1.1812 (2) | −0.12775 (11) | 0.0449 (6) | |
H17 | 0.7366 | 1.1918 | −0.1585 | 0.054* | |
C18 | 0.8159 (4) | 1.09882 (19) | −0.08240 (11) | 0.0425 (6) | |
H18 | 0.6970 | 1.0549 | −0.0833 | 0.051* | |
C19 | 0.9574 (5) | 0.5352 (3) | 0.30460 (12) | 0.0639 (8) | |
H19A | 1.0368 | 0.5946 | 0.3230 | 0.096* | |
H19B | 1.0363 | 0.4675 | 0.3065 | 0.096* | |
H19C | 0.8300 | 0.5261 | 0.3278 | 0.096* | |
C20 | 0.7812 (6) | 0.4713 (2) | 0.20419 (15) | 0.0721 (9) | |
H20A | 0.6555 | 0.4593 | 0.2278 | 0.108* | |
H20B | 0.8608 | 0.4038 | 0.2031 | 0.108* | |
H20C | 0.7472 | 0.4934 | 0.1617 | 0.108* | |
O3 | 1.2858 (3) | 1.12753 (14) | 0.00917 (9) | 0.0536 (5) | |
H3A | 1.362 (4) | 1.1797 (18) | 0.0133 (14) | 0.064* | |
O4 | 1.0477 (3) | 1.33015 (16) | −0.16975 (8) | 0.0551 (5) | |
H4A | 0.957 (4) | 1.334 (2) | −0.1969 (11) | 0.066* |