Skip to main content
. 2010 Jul 31;66(Pt 8):o2151–o2152. doi: 10.1107/S160053681002965X
O1A—C7A 1.2500 (18) O1B—C7B 1.2580 (17)
O2A—C7A 1.2843 (16) O2B—C7B 1.2722 (17)
O3A—C1A 1.3591 (17) O3B—C1B 1.3549 (18)
O3A—H1A3 0.99 (2) O3B—H1B3 0.94 (2)
C1A—C2A 1.396 (2) C1B—C2B 1.402 (2)
C1A—C6A 1.402 (2) C1B—C6B 1.404 (2)
C2A—C3A 1.380 (2) C2B—C3B 1.376 (2)
C2A—H2AA 0.9300 C2B—H2BA 0.9300
C3A—C4A 1.385 (3) C3B—C4B 1.393 (2)
C3A—H3AA 0.9300 C3B—H3BA 0.9300
C4A—C5A 1.384 (2) C4B—C5B 1.383 (2)
C4A—H4AA 0.9300 C4B—H4BA 0.9300
C5A—C6A 1.3933 (19) C5B—C6B 1.397 (2)
C5A—H5AA 0.9300 C5B—H5BA 0.9300
C6A—C7A 1.495 (2) C6B—C7B 1.499 (2)
N1A—C10A 1.356 (2) N1B—C9B 1.3550 (18)
N1A—C9A 1.3566 (19) N1B—C10B 1.3584 (18)
N1A—H1NA 0.99 (2) N1B—H1NB 0.96 (2)
N2A—C9A 1.329 (2) N2B—C9B 1.3331 (18)
N2A—H2NA 0.90 (2) N2B—H2NB 0.96 (2)
N2A—H3NA 0.93 (2) N2B—H3NB 0.930 (19)
C8A—C12A 1.366 (2) C8B—C12B 1.373 (2)
C8A—C9A 1.411 (2) C8B—C9B 1.412 (2)
C8A—H8AA 0.9300 C8B—H8BA 0.9300
C10A—C11A 1.355 (2) C10B—C11B 1.359 (2)
C10A—H10A 0.9300 C10B—H10B 0.9300
C11A—C12A 1.415 (2) C11B—C12B 1.411 (2)
C11A—H11A 0.9300 C11B—H11B 0.9300
C12A—C13A 1.504 (2) C12B—C13B 1.506 (2)
C13A—H13A 0.9600 C13B—H13D 0.9600
C13A—H13B 0.9600 C13B—H13E 0.9600
C13A—H13C 0.9600 C13B—H13F 0.9600
C1A—O3A—H1A3 103.3 (12) C1B—O3B—H1B3 101.2 (14)
O3A—C1A—C2A 118.13 (14) O3B—C1B—C2B 117.87 (13)
O3A—C1A—C6A 121.82 (13) O3B—C1B—C6B 121.75 (13)
C2A—C1A—C6A 120.05 (14) C2B—C1B—C6B 120.38 (13)
C3A—C2A—C1A 119.90 (16) C3B—C2B—C1B 119.53 (13)
C3A—C2A—H2AA 120.0 C3B—C2B—H2BA 120.2
C1A—C2A—H2AA 120.0 C1B—C2B—H2BA 120.2
C2A—C3A—C4A 120.78 (16) C2B—C3B—C4B 121.15 (14)
C2A—C3A—H3AA 119.6 C2B—C3B—H3BA 119.4
C4A—C3A—H3AA 119.6 C4B—C3B—H3BA 119.4
C5A—C4A—C3A 119.30 (15) C5B—C4B—C3B 119.05 (14)
C5A—C4A—H4AA 120.4 C5B—C4B—H4BA 120.5
C3A—C4A—H4AA 120.4 C3B—C4B—H4BA 120.5
C4A—C5A—C6A 121.29 (16) C4B—C5B—C6B 121.54 (14)
C4A—C5A—H5AA 119.4 C4B—C5B—H5BA 119.2
C6A—C5A—H5AA 119.4 C6B—C5B—H5BA 119.2
C5A—C6A—C1A 118.66 (14) C5B—C6B—C1B 118.36 (13)
C5A—C6A—C7A 120.15 (14) C5B—C6B—C7B 121.13 (13)
C1A—C6A—C7A 121.18 (12) C1B—C6B—C7B 120.50 (13)
O1A—C7A—O2A 123.35 (14) O1B—C7B—O2B 123.09 (14)
O1A—C7A—C6A 119.44 (12) O1B—C7B—C6B 119.41 (13)
O2A—C7A—C6A 117.21 (13) O2B—C7B—C6B 117.49 (12)
C10A—N1A—C9A 122.06 (14) C9B—N1B—C10B 121.76 (13)
C10A—N1A—H1NA 118.1 (12) C9B—N1B—H1NB 117.6 (12)
C9A—N1A—H1NA 119.8 (12) C10B—N1B—H1NB 120.6 (12)
C9A—N2A—H2NA 119.0 (12) C9B—N2B—H2NB 120.4 (11)
C9A—N2A—H3NA 118.2 (12) C9B—N2B—H3NB 119.0 (11)
H2NA—N2A—H3NA 122.8 (17) H2NB—N2B—H3NB 119.2 (16)
C12A—C8A—C9A 120.89 (15) C12B—C8B—C9B 120.48 (13)
C12A—C8A—H8AA 119.6 C12B—C8B—H8BA 119.8
C9A—C8A—H8AA 119.6 C9B—C8B—H8BA 119.8
N2A—C9A—N1A 118.14 (14) N2B—C9B—N1B 117.99 (13)
N2A—C9A—C8A 124.06 (15) N2B—C9B—C8B 123.61 (13)
N1A—C9A—C8A 117.80 (14) N1B—C9B—C8B 118.39 (13)
C11A—C10A—N1A 121.14 (15) N1B—C10B—C11B 121.03 (14)
C11A—C10A—H10A 119.4 N1B—C10B—H10B 119.5
N1A—C10A—H10A 119.4 C11B—C10B—H10B 119.5
C10A—C11A—C12A 119.10 (15) C10B—C11B—C12B 119.38 (13)
C10A—C11A—H11A 120.4 C10B—C11B—H11B 120.3
C12A—C11A—H11A 120.4 C12B—C11B—H11B 120.3
C8A—C12A—C11A 119.01 (15) C8B—C12B—C11B 118.95 (13)
C8A—C12A—C13A 121.66 (16) C8B—C12B—C13B 121.20 (14)
C11A—C12A—C13A 119.33 (15) C11B—C12B—C13B 119.84 (13)
C12A—C13A—H13A 109.5 C12B—C13B—H13D 109.5
C12A—C13A—H13B 109.5 C12B—C13B—H13E 109.5
H13A—C13A—H13B 109.5 H13D—C13B—H13E 109.5
C12A—C13A—H13C 109.5 C12B—C13B—H13F 109.5
H13A—C13A—H13C 109.5 H13D—C13B—H13F 109.5
H13B—C13A—H13C 109.5 H13E—C13B—H13F 109.5
O3A—C1A—C2A—C3A 178.90 (15) O3B—C1B—C2B—C3B −179.74 (13)
C6A—C1A—C2A—C3A −0.7 (2) C6B—C1B—C2B—C3B 0.2 (2)
C1A—C2A—C3A—C4A 0.5 (3) C1B—C2B—C3B—C4B 0.0 (2)
C2A—C3A—C4A—C5A 0.3 (3) C2B—C3B—C4B—C5B −0.3 (2)
C3A—C4A—C5A—C6A −0.9 (3) C3B—C4B—C5B—C6B 0.4 (2)
C4A—C5A—C6A—C1A 0.6 (2) C4B—C5B—C6B—C1B −0.1 (2)
C4A—C5A—C6A—C7A −178.47 (15) C4B—C5B—C6B—C7B 179.23 (13)
O3A—C1A—C6A—C5A −179.39 (14) O3B—C1B—C6B—C5B 179.82 (13)
C2A—C1A—C6A—C5A 0.2 (2) C2B—C1B—C6B—C5B −0.1 (2)
O3A—C1A—C6A—C7A −0.4 (2) O3B—C1B—C6B—C7B 0.4 (2)
C2A—C1A—C6A—C7A 179.26 (14) C2B—C1B—C6B—C7B −179.52 (12)
C5A—C6A—C7A—O1A −1.0 (2) C5B—C6B—C7B—O1B −0.6 (2)
C1A—C6A—C7A—O1A −179.99 (14) C1B—C6B—C7B—O1B 178.75 (13)
C5A—C6A—C7A—O2A 178.56 (14) C5B—C6B—C7B—O2B −179.89 (13)
C1A—C6A—C7A—O2A −0.5 (2) C1B—C6B—C7B—O2B −0.52 (19)
C10A—N1A—C9A—N2A 179.75 (14) C10B—N1B—C9B—N2B −179.26 (13)
C10A—N1A—C9A—C8A −0.5 (2) C10B—N1B—C9B—C8B −0.3 (2)
C12A—C8A—C9A—N2A 179.56 (14) C12B—C8B—C9B—N2B 179.36 (14)
C12A—C8A—C9A—N1A −0.2 (2) C12B—C8B—C9B—N1B 0.4 (2)
C9A—N1A—C10A—C11A 0.8 (2) C9B—N1B—C10B—C11B 0.7 (2)
N1A—C10A—C11A—C12A −0.5 (2) N1B—C10B—C11B—C12B −1.2 (2)
C9A—C8A—C12A—C11A 0.5 (2) C9B—C8B—C12B—C11B −0.9 (2)
C9A—C8A—C12A—C13A −178.45 (14) C9B—C8B—C12B—C13B 177.87 (14)
C10A—C11A—C12A—C8A −0.2 (2) C10B—C11B—C12B—C8B 1.3 (2)
C10A—C11A—C12A—C13A 178.81 (14) C10B—C11B—C12B—C13B −177.53 (14)