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. 2020 Oct 30;76(Pt 11):1779–1793. doi: 10.1107/S2056989020014097
U11 U22 U33 U12 U13 U23
N11 0.0566 (8) 0.0488 (8) 0.0713 (10) −0.0164 (6) 0.0283 (7) −0.0197 (7)
C12 0.0610 (10) 0.0759 (11) 0.0497 (9) −0.0144 (8) 0.0086 (8) −0.0156 (8)
C13 0.0480 (9) 0.0685 (10) 0.0474 (9) −0.0093 (7) 0.0035 (7) −0.0095 (7)
N14 0.0351 (6) 0.0597 (7) 0.0451 (7) −0.0136 (5) 0.0027 (5) −0.0138 (6)
C15 0.0391 (8) 0.0619 (9) 0.0705 (10) −0.0165 (7) 0.0024 (7) −0.0226 (8)
C16 0.0389 (8) 0.0622 (10) 0.0817 (12) −0.0128 (7) 0.0077 (8) −0.0233 (9)
C121 0.0390 (7) 0.0525 (8) 0.0417 (8) −0.0080 (6) −0.0006 (6) −0.0092 (6)
C122 0.0445 (8) 0.0603 (9) 0.0483 (8) −0.0159 (7) 0.0038 (7) −0.0111 (7)
C123 0.0460 (9) 0.0804 (11) 0.0586 (10) −0.0186 (8) 0.0103 (7) −0.0097 (9)
C124 0.0546 (10) 0.0855 (12) 0.0474 (9) −0.0003 (9) 0.0066 (7) −0.0172 (9)
C125 0.0637 (11) 0.0742 (11) 0.0550 (10) 0.0003 (8) −0.0073 (8) −0.0296 (8)
C126 0.0500 (9) 0.0654 (10) 0.0600 (10) −0.0121 (7) −0.0065 (7) −0.0211 (8)
O122 0.0621 (7) 0.0907 (8) 0.0735 (8) −0.0425 (6) 0.0152 (6) −0.0346 (7)
C127 0.0680 (11) 0.0796 (12) 0.0960 (14) −0.0367 (10) −0.0123 (10) −0.0126 (10)
N21 0.0459 (7) 0.0451 (7) 0.0560 (8) −0.0138 (6) 0.0135 (6) −0.0152 (6)
C22 0.0519 (9) 0.0666 (10) 0.0432 (8) −0.0120 (7) 0.0029 (7) −0.0064 (7)
C23 0.0446 (8) 0.0558 (9) 0.0463 (8) −0.0096 (7) 0.0019 (6) −0.0049 (7)
N24 0.0362 (6) 0.0554 (7) 0.0402 (6) −0.0131 (5) 0.0009 (5) −0.0085 (5)
C25 0.0415 (8) 0.0714 (10) 0.0518 (9) −0.0156 (7) −0.0011 (7) −0.0133 (7)
C26 0.0394 (8) 0.0578 (9) 0.0632 (10) −0.0095 (7) 0.0004 (7) −0.0103 (8)
C221 0.0416 (8) 0.0494 (8) 0.0431 (8) −0.0128 (6) 0.0017 (6) −0.0076 (6)
C222 0.0456 (8) 0.0556 (9) 0.0497 (9) −0.0182 (7) 0.0020 (7) −0.0063 (7)
C223 0.0464 (9) 0.0781 (11) 0.0677 (11) −0.0225 (8) 0.0116 (8) −0.0063 (9)
C224 0.0671 (11) 0.0813 (12) 0.0551 (10) −0.0155 (9) 0.0207 (9) −0.0132 (9)
C225 0.0785 (12) 0.0898 (13) 0.0520 (10) −0.0218 (10) 0.0078 (9) −0.0288 (9)
C226 0.0621 (10) 0.0839 (12) 0.0530 (10) −0.0279 (9) 0.0021 (8) −0.0242 (9)
O222 0.0581 (7) 0.0936 (8) 0.0664 (7) −0.0409 (6) 0.0024 (5) −0.0248 (6)
C227 0.0703 (12) 0.0969 (14) 0.0911 (14) −0.0433 (10) −0.0245 (10) −0.0056 (11)
C31 0.0442 (8) 0.0477 (8) 0.0536 (9) −0.0101 (6) −0.0053 (7) −0.0065 (7)
O31 0.0473 (6) 0.0693 (7) 0.0955 (9) −0.0180 (5) 0.0097 (6) −0.0181 (6)
O32 0.0595 (7) 0.0564 (6) 0.0738 (7) −0.0217 (5) 0.0168 (5) −0.0306 (5)
C32 0.0555 (9) 0.0422 (8) 0.0653 (10) −0.0176 (7) −0.0070 (8) −0.0143 (7)
C33 0.0582 (9) 0.0408 (8) 0.0558 (9) −0.0123 (7) 0.0004 (7) −0.0180 (7)
C34 0.0545 (9) 0.0416 (8) 0.0479 (8) −0.0125 (6) 0.0058 (7) −0.0107 (6)
O33 0.0557 (6) 0.0550 (6) 0.0687 (7) −0.0246 (5) 0.0121 (5) −0.0255 (5)
O34 0.0722 (8) 0.0720 (8) 0.0981 (9) −0.0285 (6) 0.0364 (7) −0.0352 (7)
C41 0.0459 (8) 0.0441 (8) 0.0486 (8) −0.0095 (6) −0.0021 (7) −0.0065 (6)
O41 0.0577 (7) 0.0555 (6) 0.0801 (8) −0.0158 (5) 0.0177 (6) −0.0139 (6)
O42 0.0704 (7) 0.0537 (6) 0.0733 (7) −0.0257 (5) 0.0230 (6) −0.0303 (5)
C42 0.0574 (9) 0.0424 (8) 0.0688 (10) −0.0190 (7) 0.0029 (8) −0.0180 (7)
C43 0.0555 (9) 0.0433 (8) 0.0620 (9) −0.0114 (7) 0.0019 (7) −0.0214 (7)
C44 0.0541 (9) 0.0486 (8) 0.0521 (9) −0.0119 (7) 0.0051 (7) −0.0161 (7)
O43 0.0816 (8) 0.0597 (7) 0.0857 (9) −0.0368 (6) 0.0332 (7) −0.0343 (6)
O44 0.0886 (9) 0.0869 (9) 0.0816 (9) −0.0369 (7) 0.0373 (7) −0.0372 (7)