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. 2008 Dec 24;65(Pt 1):o197. doi: 10.1107/S1600536808043201
x y z Uiso*/Ueq Occ. (<1)
F1 0.9058 (17) 0.4852 (16) 0.9973 (8) 0.112 0.50
F3 0.9270 (13) 0.6270 (13) 0.8772 (6) 0.083 0.50
F2 1.0892 (15) 0.4013 (14) 0.9084 (6) 0.101 0.50
F1' 0.7985 (16) 0.6070 (16) 0.9651 (7) 0.111 0.50
F2' 1.000 (2) 0.4376 (16) 0.9758 (7) 0.111 0.50
F3' 0.9991 (17) 0.5461 (16) 0.8769 (7) 0.115 0.50
F4 0.5055 (13) −0.0158 (14) 0.9651 (7) 0.085 0.50
F5 0.3781 (15) −0.0926 (12) 0.8429 (6) 0.080 0.50
F6 0.6975 (13) −0.0918 (12) 0.8664 (6) 0.078 0.50
F4' 0.5831 (15) −0.0443 (15) 0.9665 (8) 0.097 0.50
F5' 0.3083 (15) −0.0556 (14) 0.8707 (6) 0.095 0.50
F6' 0.6174 (16) −0.1374 (14) 0.8609 (7) 0.093 0.50
N 0.3387 (7) 0.3503 (6) 0.6045 (3) 0.0464 (12)
H0A 0.2534 0.2888 0.5744 0.056*
C1 0.8859 (12) 0.4933 (11) 0.9164 (5) 0.081
C2 0.5244 (14) −0.0104 (14) 0.8816 (5) 0.094 (3)
C3 0.5326 (11) 0.1454 (10) 0.8548 (4) 0.063 (2)
C4 0.4157 (10) 0.2037 (8) 0.7869 (4) 0.0543 (17)
H4A 0.3136 0.1408 0.7574 0.065*
C5 0.4445 (9) 0.3611 (9) 0.7587 (4) 0.0527 (16)
C6 0.5931 (11) 0.4465 (10) 0.8000 (4) 0.072 (2)
H6A 0.6137 0.5488 0.7821 0.087*
C7 0.7249 (13) 0.3856 (12) 0.8723 (5) 0.080 (2)
C8 0.6962 (12) 0.2426 (12) 0.8978 (5) 0.079 (3)
H8A 0.7817 0.2026 0.9441 0.095*
C9 0.3017 (8) 0.4239 (8) 0.6855 (3) 0.0482 (15)
H9A 0.3274 0.5377 0.6823 0.058*
C10 0.0783 (9) 0.4033 (9) 0.6903 (4) 0.0646 (19)
H10A 0.0507 0.4508 0.7405 0.097*
H10B 0.0461 0.2926 0.6902 0.097*
H10C −0.0033 0.4535 0.6433 0.097*
C11 0.5373 (9) 0.3961 (9) 0.5832 (4) 0.0606 (18)
H11A 0.5542 0.3455 0.5323 0.091*
H11B 0.6447 0.3636 0.6269 0.091*
H11C 0.5419 0.5088 0.5766 0.091*
O1 0.6777 (8) 0.0742 (7) 0.6474 (4) 0.0869 (18)
O2 0.5220 (7) −0.1471 (5) 0.6689 (3) 0.0652 (13)
H2A 0.4226 −0.0912 0.6526 0.098*
O3 0.8263 (6) −0.2740 (5) 0.5576 (3) 0.0579 (12)
H3A 0.8825 −0.3437 0.5351 0.087*
O4 1.1965 (6) 0.0264 (5) 0.6157 (3) 0.0540 (11)
O5 0.9516 (7) 0.0076 (6) 0.5086 (3) 0.0678 (15)
H5A 1.0184 0.0743 0.4888 0.102*
C12 0.6858 (11) −0.0671 (9) 0.6676 (4) 0.0551 (17)
C13 0.8797 (9) −0.1508 (8) 0.6891 (4) 0.0522 (15)
H13A 0.8587 −0.2481 0.7179 0.063*
H13B 0.9744 −0.0857 0.7265 0.063*
C14 0.9715 (8) −0.1898 (7) 0.6122 (3) 0.0428 (14)
H14A 1.0894 −0.2588 0.6292 0.051*
C15 1.0461 (9) −0.0360 (7) 0.5766 (4) 0.0464 (15)