Skip to main content
. 2019 Jan 11;75(Pt 2):202–207. doi: 10.1107/S2056989019000458
N1—C6 1.4638 (18) O13—C3A 1.3722 (18)
N1—C11 1.4645 (18) C3A—C14 1.371 (2)
N1—C2 1.4647 (18) C3A—C7A 1.389 (2)
C2—C3 1.517 (2) C14—C15 1.406 (2)
C2—H2A 0.9900 C14—H14 0.9500
C2—H2B 0.9900 C15—C16 1.389 (2)
C3—N4 1.4619 (18) C16—C17 1.402 (2)
C3—H3A 0.9900 C16—H16 0.9500
C3—H3B 0.9900 C17—C7A 1.363 (2)
N4—C47 1.3423 (19) C17—H17 0.9500
N4—C5 1.4692 (17) C47—O47 1.2283 (18)
C5—C6 1.5156 (19) C47—C41 1.507 (2)
C5—H5A 0.9900 C41—C46 1.390 (2)
C5—H5B 0.9900 C41—C42 1.3960 (19)
C6—H6A 0.9900 C42—C43 1.379 (2)
C6—H6B 0.9900 C42—H42 0.9500
C11—C15 1.510 (2) C43—F43 1.3572 (17)
C11—H11A 0.9900 C43—C44 1.374 (2)
C11—H11B 0.9900 C44—C45 1.387 (2)
O11—C7A 1.3777 (19) C44—H44 0.9500
O11—C12 1.431 (2) C45—C46 1.384 (2)
C12—O13 1.4268 (19) C45—H45 0.9500
C12—H12A 0.9900 C46—H46 0.9500
C12—H12B 0.9900
C6—N1—C11 111.35 (11) H12A—C12—H12B 108.4
C6—N1—C2 109.80 (11) C3A—O13—C12 105.63 (12)
C11—N1—C2 111.48 (11) C14—C3A—O13 128.14 (13)
N1—C2—C3 109.70 (12) C14—C3A—C7A 122.03 (14)
N1—C2—H2A 109.7 O13—C3A—C7A 109.82 (13)
C3—C2—H2A 109.7 C3A—C14—C15 117.14 (13)
N1—C2—H2B 109.7 C3A—C14—H14 121.4
C3—C2—H2B 109.7 C15—C14—H14 121.4
H2A—C2—H2B 108.2 C16—C15—C14 120.05 (14)
N4—C3—C2 109.93 (12) C16—C15—C11 120.75 (14)
N4—C3—H3A 109.7 C14—C15—C11 119.16 (13)
C2—C3—H3A 109.7 C15—C16—C17 122.17 (15)
N4—C3—H3B 109.7 C15—C16—H16 118.9
C2—C3—H3B 109.7 C17—C16—H16 118.9
H3A—C3—H3B 108.2 C7A—C17—C16 116.51 (14)
C47—N4—C3 125.54 (12) C7A—C17—H17 121.7
C47—N4—C5 120.78 (12) C16—C17—H17 121.7
C3—N4—C5 113.15 (11) C17—C7A—O11 128.17 (14)
N4—C5—C6 109.62 (11) C17—C7A—C3A 122.10 (14)
N4—C5—H5A 109.7 O11—C7A—C3A 109.73 (14)
C6—C5—H5A 109.7 O47—C47—N4 121.94 (13)
N4—C5—H5B 109.7 O47—C47—C41 118.54 (13)
C6—C5—H5B 109.7 N4—C47—C41 119.52 (12)
H5A—C5—H5B 108.2 C46—C41—C42 119.54 (13)
N1—C6—C5 110.19 (12) C46—C41—C47 118.31 (12)
N1—C6—H6A 109.6 C42—C41—C47 121.84 (13)
C5—C6—H6A 109.6 C43—C42—C41 117.84 (13)
N1—C6—H6B 109.6 C43—C42—H42 121.1
C5—C6—H6B 109.6 C41—C42—H42 121.1
H6A—C6—H6B 108.1 F43—C43—C44 118.11 (14)
N1—C11—C15 111.97 (12) F43—C43—C42 118.15 (14)
N1—C11—H11A 109.2 C44—C43—C42 123.73 (14)
C15—C11—H11A 109.2 C43—C44—C45 117.76 (14)
N1—C11—H11B 109.2 C43—C44—H44 121.1
C15—C11—H11B 109.2 C45—C44—H44 121.1
H11A—C11—H11B 107.9 C46—C45—C44 120.34 (14)
C7A—O11—C12 105.29 (11) C46—C45—H45 119.8
O13—C12—O11 108.48 (13) C44—C45—H45 119.8
O13—C12—H12A 110.0 C45—C46—C41 120.77 (14)
O11—C12—H12A 110.0 C45—C46—H46 119.6
O13—C12—H12B 110.0 C41—C46—H46 119.6
O11—C12—H12B 110.0
C6—N1—C2—C3 −60.96 (15) C16—C17—C7A—C3A −0.4 (2)
C11—N1—C2—C3 175.17 (12) C12—O11—C7A—C17 174.64 (16)
N1—C2—C3—N4 57.23 (15) C12—O11—C7A—C3A −6.53 (16)
C2—C3—N4—C47 133.38 (15) C14—C3A—C7A—C17 0.5 (2)
C2—C3—N4—C5 −55.00 (16) O13—C3A—C7A—C17 179.30 (14)
C47—N4—C5—C6 −133.39 (14) C14—C3A—C7A—O11 −178.38 (13)
C3—N4—C5—C6 54.54 (16) O13—C3A—C7A—O11 0.39 (17)
C11—N1—C6—C5 −175.10 (11) C3—N4—C47—O47 171.03 (16)
C2—N1—C6—C5 60.95 (15) C5—N4—C47—O47 0.0 (2)
N4—C5—C6—N1 −56.63 (15) C3—N4—C47—C41 −8.9 (2)
C6—N1—C11—C15 71.31 (15) C5—N4—C47—C41 −179.92 (13)
C2—N1—C11—C15 −165.70 (12) O47—C47—C41—C46 −56.5 (2)
C7A—O11—C12—O13 10.19 (17) N4—C47—C41—C46 123.39 (16)
O11—C12—O13—C3A −9.99 (17) O47—C47—C41—C42 116.97 (17)
C12—O13—C3A—C14 −175.37 (15) N4—C47—C41—C42 −63.11 (19)
C12—O13—C3A—C7A 5.95 (17) C46—C41—C42—C43 1.1 (2)
O13—C3A—C14—C15 −178.36 (14) C47—C41—C42—C43 −172.33 (13)
C7A—C3A—C14—C15 0.2 (2) C41—C42—C43—F43 178.02 (14)
C3A—C14—C15—C16 −0.9 (2) C41—C42—C43—C44 −1.7 (2)
C3A—C14—C15—C11 176.73 (13) F43—C43—C44—C45 −178.92 (14)
N1—C11—C15—C16 −138.33 (14) C42—C43—C44—C45 0.8 (2)
N1—C11—C15—C14 44.02 (18) C43—C44—C45—C46 0.7 (2)
C14—C15—C16—C17 1.1 (2) C44—C45—C46—C41 −1.3 (2)
C11—C15—C16—C17 −176.55 (14) C42—C41—C46—C45 0.4 (2)
C15—C16—C17—C7A −0.4 (2) C47—C41—C46—C45 174.01 (13)
C16—C17—C7A—O11 178.28 (14)