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. 2021 Apr 9;6(Pt 4):x210351. doi: 10.1107/S2414314621003515
S1A—C4A 1.727 (2) S1B—C4B 1.715 (3)
S1A—C1A 1.7277 (19) S1B—C1B 1.716 (2)
O1A—C6A 1.220 (2) O1B—C6B 1.217 (2)
O2A—C6A 1.330 (2) O2B—C6B 1.333 (2)
O2A—C7A 1.440 (2) O2B—C7B 1.437 (2)
N1A—C1A 1.340 (3) N1B—C1B 1.337 (3)
N1A—H1AA 0.83 (3) N1B—H1BA 0.82 (3)
N1A—H1AB 0.86 (3) N1B—H1BB 0.87 (3)
C1A—C2A 1.386 (3) C1B—C2B 1.389 (2)
C2A—C6A 1.444 (2) C2B—C6B 1.440 (2)
C2A—C3A 1.445 (2) C2B—C3B 1.443 (3)
C3A—C4A 1.350 (3) C3B—C4B 1.339 (3)
C3A—C5A 1.495 (3) C3B—C5B 1.495 (3)
C4A—H4AA 0.9300 C4B—H4BA 0.9300
C5A—H5AA 0.9600 C5B—H5BA 0.9600
C5A—H5AB 0.9600 C5B—H5BB 0.9600
C5A—H5AC 0.9600 C5B—H5BC 0.9600
C7A—C8A 1.492 (3) C7B—C8B 1.502 (3)
C7A—H7AA 0.9700 C7B—H7BA 0.9700
C7A—H7AB 0.9700 C7B—H7BB 0.9700
C8A—H8AA 0.9600 C8B—H8BA 0.9600
C8A—H8AB 0.9600 C8B—H8BB 0.9600
C8A—H8AC 0.9600 C8B—H8BC 0.9600
C4A—S1A—C1A 91.37 (9) C4B—S1B—C1B 91.28 (11)
C6A—O2A—C7A 117.21 (14) C6B—O2B—C7B 117.81 (16)
C1A—N1A—H1AA 116.2 (19) C1B—N1B—H1BA 116.5 (17)
C1A—N1A—H1AB 122.2 (17) C1B—N1B—H1BB 118.1 (18)
H1AA—N1A—H1AB 120 (2) H1BA—N1B—H1BB 124 (2)
N1A—C1A—C2A 128.91 (17) N1B—C1B—C2B 128.53 (18)
N1A—C1A—S1A 119.95 (15) N1B—C1B—S1B 120.36 (15)
C2A—C1A—S1A 111.12 (14) C2B—C1B—S1B 111.12 (14)
C1A—C2A—C6A 119.56 (16) C1B—C2B—C6B 119.66 (16)
C1A—C2A—C3A 112.69 (15) C1B—C2B—C3B 112.43 (17)
C6A—C2A—C3A 127.75 (16) C6B—C2B—C3B 127.92 (17)
C4A—C3A—C2A 111.36 (17) C4B—C3B—C2B 111.01 (19)
C4A—C3A—C5A 122.25 (18) C4B—C3B—C5B 122.6 (2)
C2A—C3A—C5A 126.40 (16) C2B—C3B—C5B 126.34 (19)
C3A—C4A—S1A 113.46 (15) C3B—C4B—S1B 114.16 (17)
C3A—C4A—H4AA 123.3 C3B—C4B—H4BA 122.9
S1A—C4A—H4AA 123.3 S1B—C4B—H4BA 122.9
C3A—C5A—H5AA 109.5 C3B—C5B—H5BA 109.5
C3A—C5A—H5AB 109.5 C3B—C5B—H5BB 109.5
H5AA—C5A—H5AB 109.5 H5BA—C5B—H5BB 109.5
C3A—C5A—H5AC 109.5 C3B—C5B—H5BC 109.5
H5AA—C5A—H5AC 109.5 H5BA—C5B—H5BC 109.5
H5AB—C5A—H5AC 109.5 H5BB—C5B—H5BC 109.5
O1A—C6A—O2A 121.81 (16) O1B—C6B—O2B 121.96 (17)
O1A—C6A—C2A 124.29 (16) O1B—C6B—C2B 124.56 (17)
O2A—C6A—C2A 113.89 (15) O2B—C6B—C2B 113.46 (16)
O2A—C7A—C8A 106.65 (16) O2B—C7B—C8B 106.1 (2)
O2A—C7A—H7AA 110.4 O2B—C7B—H7BA 110.5
C8A—C7A—H7AA 110.4 C8B—C7B—H7BA 110.5
O2A—C7A—H7AB 110.4 O2B—C7B—H7BB 110.5
C8A—C7A—H7AB 110.4 C8B—C7B—H7BB 110.5
H7AA—C7A—H7AB 108.6 H7BA—C7B—H7BB 108.7
C7A—C8A—H8AA 109.5 C7B—C8B—H8BA 109.5
C7A—C8A—H8AB 109.5 C7B—C8B—H8BB 109.5
H8AA—C8A—H8AB 109.5 H8BA—C8B—H8BB 109.5
C7A—C8A—H8AC 109.5 C7B—C8B—H8BC 109.5
H8AA—C8A—H8AC 109.5 H8BA—C8B—H8BC 109.5
H8AB—C8A—H8AC 109.5 H8BB—C8B—H8BC 109.5
C4A—S1A—C1A—N1A −177.88 (18) C4B—S1B—C1B—N1B −179.6 (2)
C4A—S1A—C1A—C2A 0.54 (15) C4B—S1B—C1B—C2B 0.33 (19)
N1A—C1A—C2A—C6A −2.3 (3) N1B—C1B—C2B—C6B −0.3 (3)
S1A—C1A—C2A—C6A 179.41 (13) S1B—C1B—C2B—C6B 179.78 (15)
N1A—C1A—C2A—C3A 177.8 (2) N1B—C1B—C2B—C3B 179.7 (2)
S1A—C1A—C2A—C3A −0.5 (2) S1B—C1B—C2B—C3B −0.3 (2)
C1A—C2A—C3A—C4A 0.1 (2) C1B—C2B—C3B—C4B 0.0 (3)
C6A—C2A—C3A—C4A −179.77 (18) C6B—C2B—C3B—C4B 180.0 (2)
C1A—C2A—C3A—C5A −179.96 (18) C1B—C2B—C3B—C5B 179.7 (2)
C6A—C2A—C3A—C5A 0.2 (3) C6B—C2B—C3B—C5B −0.3 (4)
C2A—C3A—C4A—S1A 0.3 (2) C2B—C3B—C4B—S1B 0.2 (3)
C5A—C3A—C4A—S1A −179.62 (16) C5B—C3B—C4B—S1B −179.5 (2)
C1A—S1A—C4A—C3A −0.52 (17) C1B—S1B—C4B—C3B −0.3 (3)
C7A—O2A—C6A—O1A 0.9 (3) C7B—O2B—C6B—O1B −0.2 (3)
C7A—O2A—C6A—C2A −179.88 (16) C7B—O2B—C6B—C2B 178.22 (17)
C1A—C2A—C6A—O1A 0.7 (3) C1B—C2B—C6B—O1B 0.4 (3)
C3A—C2A—C6A—O1A −179.46 (18) C3B—C2B—C6B—O1B −179.5 (2)
C1A—C2A—C6A—O2A −178.48 (15) C1B—C2B—C6B—O2B −177.98 (17)
C3A—C2A—C6A—O2A 1.4 (3) C3B—C2B—C6B—O2B 2.1 (3)
C6A—O2A—C7A—C8A 177.71 (17) C6B—O2B—C7B—C8B −179.07 (18)