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. 2020 Oct 30;76(Pt 11):1779–1793. doi: 10.1107/S2056989020014097
U11 U22 U33 U12 U13 U23
N1 0.0576 (19) 0.0355 (16) 0.0460 (17) −0.0002 (16) 0.0043 (15) 0.0093 (14)
C2 0.063 (2) 0.0322 (18) 0.061 (2) 0.0033 (17) 0.0179 (18) 0.0013 (16)
C3 0.057 (2) 0.0362 (19) 0.0443 (18) −0.0014 (17) 0.0143 (15) −0.0036 (14)
N4 0.0462 (16) 0.0352 (14) 0.0382 (14) 0.0025 (13) 0.0127 (12) 0.0025 (12)
C5 0.060 (2) 0.0325 (17) 0.0389 (17) −0.0028 (17) 0.0080 (16) 0.0031 (15)
C6 0.065 (2) 0.040 (2) 0.0468 (18) −0.0102 (18) −0.0007 (17) 0.0083 (15)
C21 0.053 (2) 0.0404 (19) 0.0355 (16) 0.0091 (16) 0.0186 (15) 0.0017 (15)
C22 0.064 (2) 0.047 (2) 0.0475 (19) 0.002 (2) 0.0208 (17) 0.0074 (18)
C23 0.093 (3) 0.054 (2) 0.062 (2) 0.005 (2) 0.037 (2) 0.015 (2)
C24 0.104 (4) 0.067 (3) 0.058 (2) 0.024 (3) 0.026 (2) 0.026 (2)
C25 0.074 (3) 0.077 (3) 0.053 (2) 0.018 (3) 0.003 (2) 0.009 (2)
C26 0.056 (2) 0.057 (2) 0.0502 (19) 0.009 (2) 0.0081 (17) 0.0031 (19)
O22 0.0621 (16) 0.0759 (19) 0.0786 (17) −0.0177 (16) 0.0137 (14) 0.0213 (16)
C27 0.078 (3) 0.091 (3) 0.118 (4) −0.030 (3) 0.034 (3) 0.010 (3)
C31 0.0235 (14) 0.0325 (18) 0.0411 (15) 0.0001 (14) 0.0084 (12) −0.0038 (14)
O31 0.0316 (11) 0.0350 (13) 0.0616 (13) 0.0062 (10) 0.0129 (10) 0.0057 (11)
O32 0.0248 (10) 0.0384 (13) 0.0869 (16) −0.0026 (10) 0.0224 (10) 0.0027 (12)
C32 0.0268 (15) 0.0240 (15) 0.0419 (15) 0.0009 (12) 0.0130 (12) −0.0027 (13)
O33 0.0312 (12) 0.0296 (12) 0.0749 (16) −0.0031 (10) 0.0256 (11) −0.0055 (11)
C33 0.0243 (14) 0.0284 (16) 0.0364 (15) 0.0027 (12) 0.0098 (12) 0.0044 (13)
O34 0.0407 (12) 0.0439 (14) 0.0424 (11) 0.0089 (11) 0.0212 (10) 0.0037 (11)
C34 0.0244 (14) 0.0311 (15) 0.0368 (15) −0.0018 (13) 0.0063 (13) −0.0025 (14)
O35 0.0388 (12) 0.0597 (15) 0.0442 (12) 0.0126 (12) 0.0058 (10) 0.0128 (12)
O36 0.0200 (9) 0.0436 (13) 0.0435 (11) 0.0026 (10) 0.0104 (9) 0.0042 (10)
O41 0.0671 (17) 0.0429 (16) 0.0847 (18) −0.0022 (14) 0.0415 (14) −0.0044 (13)
O51 0.104 (4) 0.137 (5) 0.072 (3) 0.042 (4) 0.020 (2) 0.004 (3)