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. 2016 Apr 15;72(Pt 5):675–682. doi: 10.1107/S2056989016005958
O3—C3 1.366 (3) C14—C15 1.530 (3)
O3—C31 1.427 (3) C14—H14A 0.9900
O4—C4 1.376 (3) C14—H14B 0.9900
O4—C41 1.446 (3) C15—C16 1.520 (4)
O5—C5 1.359 (3) C15—H15A 0.9900
O5—C51 1.429 (3) C15—H15B 0.9900
O11—C11 1.240 (3) C16—C17 1.527 (3)
O19—C18 1.431 (3) C16—H16A 0.9900
O19—H19 0.92 (4) C16—H16B 0.9900
N12—C11 1.335 (3) C17—C18 1.510 (4)
N12—C13 1.459 (3) C17—H17A 0.9900
N12—H12 0.77 (3) C17—H17B 0.9900
C1—C2 1.393 (3) C18—H18A 0.9900
C1—C6 1.394 (3) C18—H18B 0.9900
C1—C11 1.498 (3) C31—H31A 0.9800
C2—C3 1.395 (3) C31—H31B 0.9800
C2—H2 0.9500 C31—H31C 0.9800
C3—C4 1.396 (4) C41—H41A 0.9800
C4—C5 1.393 (3) C41—H41B 0.9800
C5—C6 1.399 (3) C41—H41C 0.9800
C6—H6 0.9500 C51—H51A 0.9800
C13—C14 1.509 (4) C51—H51B 0.9800
C13—H13A 0.9900 C51—H51C 0.9800
C13—H13B 0.9900
C3—O3—C31 117.22 (19) C16—C15—H15A 108.7
C4—O4—C41 113.10 (19) C14—C15—H15A 108.7
C5—O5—C51 117.44 (18) C16—C15—H15B 108.7
C18—O19—H19 107 (2) C14—C15—H15B 108.7
C11—N12—C13 123.6 (2) H15A—C15—H15B 107.6
C11—N12—H12 119 (2) C15—C16—C17 112.1 (2)
C13—N12—H12 117 (2) C15—C16—H16A 109.2
C2—C1—C6 120.8 (2) C17—C16—H16A 109.2
C2—C1—C11 118.1 (2) C15—C16—H16B 109.2
C6—C1—C11 120.9 (2) C17—C16—H16B 109.2
C1—C2—C3 119.3 (2) H16A—C16—H16B 107.9
C1—C2—H2 120.3 C18—C17—C16 113.0 (2)
C3—C2—H2 120.3 C18—C17—H17A 109.0
O3—C3—C4 115.4 (2) C16—C17—H17A 109.0
O3—C3—C2 124.3 (2) C18—C17—H17B 109.0
C4—C3—C2 120.2 (2) C16—C17—H17B 109.0
O4—C4—C5 119.2 (2) H17A—C17—H17B 107.8
O4—C4—C3 120.6 (2) O19—C18—C17 109.2 (2)
C5—C4—C3 120.2 (2) O19—C18—H18A 109.8
O5—C5—C4 116.0 (2) C17—C18—H18A 109.8
O5—C5—C6 124.2 (2) O19—C18—H18B 109.8
C4—C5—C6 119.8 (2) C17—C18—H18B 109.8
C1—C6—C5 119.6 (2) H18A—C18—H18B 108.3
C1—C6—H6 120.2 O3—C31—H31A 109.5
C5—C6—H6 120.2 O3—C31—H31B 109.5
O11—C11—N12 123.1 (2) H31A—C31—H31B 109.5
O11—C11—C1 120.1 (2) O3—C31—H31C 109.5
N12—C11—C1 116.9 (2) H31A—C31—H31C 109.5
N12—C13—C14 111.1 (2) H31B—C31—H31C 109.5
N12—C13—H13A 109.4 O4—C41—H41A 109.5
C14—C13—H13A 109.4 O4—C41—H41B 109.5
N12—C13—H13B 109.4 H41A—C41—H41B 109.5
C14—C13—H13B 109.4 O4—C41—H41C 109.5
H13A—C13—H13B 108.0 H41A—C41—H41C 109.5
C13—C14—C15 113.5 (2) H41B—C41—H41C 109.5
C13—C14—H14A 108.9 O5—C51—H51A 109.5
C15—C14—H14A 108.9 O5—C51—H51B 109.5
C13—C14—H14B 108.9 H51A—C51—H51B 109.5
C15—C14—H14B 108.9 O5—C51—H51C 109.5
H14A—C14—H14B 107.7 H51A—C51—H51C 109.5
C16—C15—C14 114.3 (2) H51B—C51—H51C 109.5
C6—C1—C2—C3 −0.9 (4) C3—C4—C5—C6 −1.3 (4)
C11—C1—C2—C3 −175.9 (2) C2—C1—C6—C5 −2.3 (4)
C31—O3—C3—C4 176.7 (2) C11—C1—C6—C5 172.6 (2)
C31—O3—C3—C2 −3.5 (4) O5—C5—C6—C1 −175.8 (2)
C1—C2—C3—O3 −176.8 (2) C4—C5—C6—C1 3.4 (4)
C1—C2—C3—C4 3.0 (4) C13—N12—C11—O11 7.0 (4)
C41—O4—C4—C5 108.9 (3) C13—N12—C11—C1 −171.3 (2)
C41—O4—C4—C3 −74.4 (3) C2—C1—C11—O11 32.3 (4)
O3—C3—C4—O4 1.2 (4) C6—C1—C11—O11 −142.8 (3)
C2—C3—C4—O4 −178.6 (2) C2—C1—C11—N12 −149.3 (2)
O3—C3—C4—C5 177.9 (2) C6—C1—C11—N12 35.6 (3)
C2—C3—C4—C5 −1.9 (4) C11—N12—C13—C14 129.1 (3)
C51—O5—C5—C4 −175.7 (2) N12—C13—C14—C15 177.5 (2)
C51—O5—C5—C6 3.6 (4) C13—C14—C15—C16 65.7 (3)
O4—C4—C5—O5 −5.3 (4) C14—C15—C16—C17 173.9 (2)
C3—C4—C5—O5 178.0 (2) C15—C16—C17—C18 −174.4 (2)
O4—C4—C5—C6 175.5 (2) C16—C17—C18—O19 177.9 (2)