x | y | z | Uiso*/Ueq | ||
N1 | 0.11626 (13) | 0.25479 (11) | 0.8800 (2) | 0.0459 (5) | |
N2 | 0.20751 (14) | 0.23123 (11) | 0.8290 (2) | 0.0464 (5) | |
O1 | −0.00123 (13) | 0.47737 (10) | 0.7280 (2) | 0.0698 (5) | |
O2 | 0.27806 (12) | 0.16021 (9) | 1.0915 (2) | 0.0572 (4) | |
O3 | 0.62405 (13) | 0.06696 (12) | 0.6746 (2) | 0.0832 (6) | |
C1 | −0.03802 (17) | 0.34548 (14) | 0.8236 (3) | 0.0484 (6) | |
C2 | −0.07099 (18) | 0.42835 (15) | 0.7881 (3) | 0.0532 (6) | |
C3 | −0.1678 (2) | 0.45577 (18) | 0.8150 (3) | 0.0689 (8) | |
H3 | −0.1900 | 0.5108 | 0.7906 | 0.083* | |
C4 | −0.2316 (2) | 0.4011 (2) | 0.8783 (3) | 0.0777 (8) | |
H4 | −0.2970 | 0.4199 | 0.8958 | 0.093* | |
C5 | −0.2007 (2) | 0.3201 (2) | 0.9158 (4) | 0.0782 (8) | |
H5 | −0.2440 | 0.2838 | 0.9593 | 0.094* | |
C6 | −0.10359 (18) | 0.29291 (16) | 0.8878 (3) | 0.0629 (7) | |
H6 | −0.0821 | 0.2378 | 0.9130 | 0.075* | |
C7 | 0.06430 (17) | 0.31710 (14) | 0.7935 (3) | 0.0477 (6) | |
H7 | 0.0918 | 0.3448 | 0.7103 | 0.057* | |
C8 | 0.28308 (17) | 0.18075 (13) | 0.9401 (3) | 0.0456 (5) | |
C9 | 0.37276 (17) | 0.15184 (13) | 0.8685 (3) | 0.0467 (6) | |
C10 | 0.47380 (19) | 0.13301 (16) | 0.9881 (3) | 0.0693 (7) | |
H10 | 0.4844 | 0.1393 | 1.1119 | 0.083* | |
C11 | 0.5597 (2) | 0.10505 (18) | 0.9289 (4) | 0.0772 (8) | |
H11 | 0.6276 | 0.0932 | 1.0121 | 0.093* | |
C12 | 0.54480 (19) | 0.09484 (15) | 0.7470 (3) | 0.0598 (7) | |
C13 | 0.44375 (19) | 0.11214 (15) | 0.6249 (3) | 0.0620 (7) | |
H13 | 0.4330 | 0.1045 | 0.5014 | 0.074* | |
C14 | 0.35890 (17) | 0.14068 (13) | 0.6849 (3) | 0.0527 (6) | |
H14 | 0.2912 | 0.1527 | 0.6013 | 0.063* | |
C15 | 0.7272 (2) | 0.04266 (18) | 0.7970 (4) | 0.0888 (9) | |
H15A | 0.7609 | 0.0897 | 0.8689 | 0.133* | |
H15B | 0.7745 | 0.0226 | 0.7295 | 0.133* | |
H15C | 0.7157 | −0.0007 | 0.8750 | 0.133* | |
C16 | −0.0288 (2) | 0.56282 (15) | 0.6910 (4) | 0.0780 (8) | |
H16A | −0.0998 | 0.5670 | 0.6022 | 0.117* | |
H16B | 0.0255 | 0.5890 | 0.6454 | 0.117* | |
H16C | −0.0309 | 0.5902 | 0.8006 | 0.117* | |
H2 | 0.2197 (19) | 0.2603 (13) | 0.737 (2) | 0.080* |