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. 2020 Oct 30;76(Pt 11):1779–1793. doi: 10.1107/S2056989020014097
U11 U22 U33 U12 U13 U23
N1 0.0552 (13) 0.0560 (13) 0.0418 (11) 0.0094 (11) 0.0060 (9) −0.0028 (9)
C2 0.0443 (13) 0.0595 (15) 0.0548 (14) 0.0023 (12) 0.0065 (11) 0.0043 (12)
C3 0.0451 (13) 0.0491 (14) 0.0664 (15) −0.0031 (11) 0.0074 (11) 0.0015 (13)
N4 0.0420 (10) 0.0461 (11) 0.0512 (11) −0.0012 (9) 0.0086 (8) 0.0033 (9)
C5 0.0546 (15) 0.0621 (15) 0.0475 (13) −0.0023 (13) 0.0151 (11) 0.0010 (12)
C6 0.0664 (17) 0.0532 (15) 0.0472 (13) 0.0001 (13) 0.0139 (12) 0.0060 (12)
C21 0.0434 (13) 0.0395 (12) 0.0529 (13) 0.0002 (11) 0.0070 (10) −0.0050 (11)
C22 0.0458 (13) 0.0413 (13) 0.0625 (15) 0.0009 (10) 0.0134 (11) 0.0024 (11)
C23 0.0618 (17) 0.0523 (15) 0.0712 (17) 0.0109 (13) 0.0154 (13) 0.0138 (14)
C24 0.0528 (16) 0.0609 (17) 0.083 (2) 0.0184 (14) 0.0049 (14) 0.0046 (16)
C25 0.0456 (15) 0.0724 (19) 0.0751 (18) 0.0090 (14) 0.0142 (13) −0.0172 (16)
C26 0.0470 (14) 0.0636 (16) 0.0541 (14) 0.0009 (12) 0.0121 (11) −0.0126 (13)
O22 0.0646 (12) 0.0695 (13) 0.0737 (13) 0.0176 (10) 0.0314 (10) 0.0251 (10)
C27 0.102 (3) 0.109 (3) 0.115 (3) 0.029 (2) 0.064 (2) 0.052 (3)
C31 0.0524 (19) 0.0539 (18) 0.0516 (18) 0.0091 (15) 0.0257 (15) 0.0149 (15)
C32 0.061 (3) 0.075 (2) 0.069 (3) 0.014 (2) 0.030 (3) 0.0084 (19)
F32 0.098 (2) 0.119 (2) 0.098 (2) 0.0153 (17) 0.0134 (17) −0.0298 (18)
C33 0.118 (4) 0.071 (2) 0.093 (3) 0.019 (3) 0.064 (3) 0.005 (2)
C34 0.121 (5) 0.089 (3) 0.100 (4) 0.052 (3) 0.069 (4) 0.040 (3)
C35 0.083 (3) 0.134 (5) 0.088 (4) 0.058 (3) 0.042 (3) 0.055 (3)
C36 0.062 (2) 0.093 (3) 0.071 (3) 0.028 (2) 0.0298 (19) 0.034 (2)
C37 0.0469 (19) 0.0538 (18) 0.0535 (16) 0.0080 (15) 0.0180 (13) 0.0166 (14)
O31 0.064 (2) 0.0682 (17) 0.0588 (12) 0.0137 (15) 0.0102 (14) 0.0001 (12)
O32 0.092 (3) 0.087 (2) 0.0537 (12) 0.041 (2) 0.0226 (16) 0.0226 (12)
C41 0.0524 (19) 0.0539 (18) 0.0516 (18) 0.0091 (15) 0.0257 (15) 0.0149 (15)
C42 0.061 (3) 0.075 (2) 0.069 (3) 0.014 (2) 0.030 (3) 0.0084 (19)
F42 0.098 (2) 0.119 (2) 0.098 (2) 0.0153 (17) 0.0134 (17) −0.0298 (18)
C43 0.118 (4) 0.071 (2) 0.093 (3) 0.019 (3) 0.064 (3) 0.005 (2)
C44 0.121 (5) 0.089 (3) 0.100 (4) 0.052 (3) 0.069 (4) 0.040 (3)
C45 0.083 (3) 0.134 (5) 0.088 (4) 0.058 (3) 0.042 (3) 0.055 (3)
C46 0.062 (2) 0.093 (3) 0.071 (3) 0.028 (2) 0.0298 (19) 0.034 (2)
C47 0.0469 (19) 0.0538 (18) 0.0535 (16) 0.0080 (15) 0.0180 (13) 0.0166 (14)
O41 0.064 (2) 0.0682 (17) 0.0588 (12) 0.0137 (15) 0.0102 (14) 0.0001 (12)
O42 0.092 (3) 0.087 (2) 0.0537 (12) 0.041 (2) 0.0226 (16) 0.0226 (12)