x | y | z | Uiso*/Ueq | ||
C1 | 0.40390 (5) | 0.4849 (2) | −0.00701 (11) | 0.0251 (3) | |
C2 | 0.40861 (5) | 0.6475 (3) | 0.09733 (11) | 0.0267 (3) | |
H2A | 0.4380 | 0.6271 | 0.1674 | 0.032* | |
C3 | 0.36900 (5) | 0.8389 (3) | 0.09502 (11) | 0.0256 (3) | |
C4 | 0.32438 (5) | 0.8667 (2) | −0.00919 (11) | 0.0249 (3) | |
C5 | 0.32041 (5) | 0.7058 (2) | −0.11289 (11) | 0.0247 (3) | |
C6 | 0.36006 (5) | 0.5156 (3) | −0.11223 (12) | 0.0262 (3) | |
H6A | 0.3575 | 0.4083 | −0.1819 | 0.031* | |
C7 | 0.44558 (5) | 0.2786 (2) | −0.00657 (11) | 0.0262 (3) | |
O1 | 0.36873 (4) | 1.0116 (2) | 0.18952 (9) | 0.0367 (3) | |
H1 | 0.3935 (6) | 0.969 (4) | 0.2539 (15) | 0.044* | |
O2 | 0.28434 (4) | 1.0485 (2) | −0.01206 (10) | 0.0352 (3) | |
H2 | 0.2920 (6) | 1.127 (3) | 0.0553 (13) | 0.042* | |
O3 | 0.27680 (4) | 0.7268 (2) | −0.21619 (9) | 0.0334 (3) | |
H3 | 0.2610 (7) | 0.872 (3) | −0.2151 (16) | 0.040* | |
O4 | 0.48474 (4) | 0.2647 (2) | 0.09722 (9) | 0.0392 (3) | |
H4 | 0.5076 (7) | 0.143 (3) | 0.0928 (17) | 0.047* | |
O5 | 0.44465 (4) | 0.12950 (19) | −0.09537 (8) | 0.0314 (3) |