Skip to main content
. 2020 Jan 21;76(Pt 2):257–260. doi: 10.1107/S2056989020000584
O8—C46 1.221 (4) C8—C9 1.388 (5)
O5—C19 1.234 (4) C8—C13 1.390 (5)
O6—C32 1.243 (4) C14—C15 1.523 (5)
O7—C37 1.227 (4) C44—H44 0.9500
O9—C49 1.211 (4) C26—C27 1.391 (5)
O4—C14 1.221 (4) C7—H7A 0.9900
O10—C49 1.333 (4) C7—H7B 0.9900
O10—C50 1.445 (4) C7—C6 1.529 (4)
O3—C5 1.224 (4) C47—H47 1.0000
O2—C2 1.207 (4) C47—C48 1.523 (5)
N5—H5 0.8800 C6—H6A 1.0000
N5—C37 1.343 (4) C42—H42 0.9500
N5—C38 1.443 (4) C21—H21 0.9500
O1—C2 1.326 (4) C30—H30 0.9500
O1—C1 1.466 (5) C30—C29 1.384 (6)
N2—H2 0.8800 C36—H36 1.0000
N2—C14 1.350 (4) C36—C35 1.544 (4)
N2—C6 1.454 (4) C24—H24 0.9500
N6—H6 0.8800 C9—H9 0.9500
N6—C46 1.346 (4) C9—C10 1.391 (5)
N6—C47 1.448 (4) C35—H35A 0.9900
N3—C19 1.332 (4) C35—H35B 0.9900
N3—C15 1.460 (4) C4—H4A 0.9800
N3—C18 1.476 (4) C4—H4B 0.9800
N4—C32 1.345 (4) C4—H4C 0.9800
N4—C33 1.469 (4) C4—C3 1.515 (5)
N4—C36 1.463 (4) C29—H29 0.9500
N1—H1 0.8800 C29—C28 1.369 (6)
N1—C5 1.325 (4) C15—H15 1.0000
N1—C3 1.454 (4) C15—C16 1.542 (5)
C5—C6 1.534 (5) C27—H27 0.9500
C2—C3 1.513 (5) C27—C28 1.395 (5)
C49—C47 1.515 (4) C13—H13 0.9500
C37—C36 1.516 (4) C13—C12 1.388 (5)
C19—C20 1.505 (4) C3—H3 1.0000
C46—C38 1.536 (4) C12—H12 0.9500
C40—C45 1.386 (5) C12—C11 1.387 (6)
C40—C39 1.518 (4) C10—H10 0.9500
C40—C41 1.396 (5) C10—C11 1.372 (6)
C38—H38 1.0000 C28—H28 0.9500
C38—C39 1.528 (4) C11—H11 0.9500
C32—C31 1.492 (5) C18—H18C 0.9900
C25—C20 1.388 (4) C18—H18D 0.9900
C25—C26 1.503 (4) C18—H18A 0.9900
C25—C24 1.387 (4) C18—H18B 0.9900
C20—C21 1.398 (5) C18—C17B 1.513 (6)
C33—H33A 0.9900 C18—C17A 1.566 (15)
C33—H33B 0.9900 C48—H48A 0.9800
C33—C34 1.527 (4) C48—H48B 0.9800
C45—H45 0.9500 C48—H48C 0.9800
C45—C44 1.388 (5) C50—H50A 0.9800
C22—H22 0.9500 C50—H50B 0.9800
C22—C23 1.378 (5) C50—H50C 0.9800
C22—C21 1.382 (5) C16—H16C 0.9900
C31—C26 1.402 (5) C16—H16D 0.9900
C31—C30 1.385 (5) C16—H16A 0.9900
C34—H34A 0.9900 C16—H16B 0.9900
C34—H34B 0.9900 C16—C17B 1.563 (7)
C34—C35 1.519 (5) C16—C17A 1.335 (17)
C39—H39A 0.9900 C1—H1A 0.9800
C39—H39B 0.9900 C1—H1B 0.9800
C41—H41 0.9500 C1—H1C 0.9800
C41—C42 1.391 (5) O11—H11A 0.8701
C23—H23 0.9500 O11—H11B 0.8694
C23—C24 1.380 (5) C17B—H17A 0.9900
C43—H43 0.9500 C17B—H17B 0.9900
C43—C44 1.392 (5) C17A—H17C 0.9900
C43—C42 1.386 (5) C17A—H17D 0.9900
C8—C7 1.515 (5)
C49—O10—C50 116.8 (3) C41—C42—H42 120.0
C37—N5—H5 119.4 C43—C42—C41 119.9 (3)
C37—N5—C38 121.2 (3) C43—C42—H42 120.0
C38—N5—H5 119.4 C20—C21—H21 119.8
C2—O1—C1 114.9 (3) C22—C21—C20 120.3 (3)
C14—N2—H2 119.6 C22—C21—H21 119.8
C14—N2—C6 120.8 (3) C31—C30—H30 119.5
C6—N2—H2 119.6 C29—C30—C31 121.1 (4)
C46—N6—H6 119.9 C29—C30—H30 119.5
C46—N6—C47 120.1 (3) N4—C36—C37 114.4 (2)
C47—N6—H6 119.9 N4—C36—H36 109.5
C19—N3—C15 120.3 (3) N4—C36—C35 103.3 (2)
C19—N3—C18 127.4 (3) C37—C36—H36 109.5
C15—N3—C18 112.1 (3) C37—C36—C35 110.5 (3)
C32—N4—C33 127.6 (3) C35—C36—H36 109.5
C32—N4—C36 120.4 (3) C25—C24—H24 119.2
C36—N4—C33 112.1 (2) C23—C24—C25 121.6 (3)
C5—N1—H1 118.3 C23—C24—H24 119.2
C5—N1—C3 123.4 (3) C8—C9—H9 120.0
C3—N1—H1 118.3 C8—C9—C10 120.1 (4)
O3—C5—N1 123.2 (3) C10—C9—H9 120.0
O3—C5—C6 121.8 (3) C34—C35—C36 104.4 (3)
N1—C5—C6 115.0 (3) C34—C35—H35A 110.9
O2—C2—O1 124.6 (4) C34—C35—H35B 110.9
O2—C2—C3 124.6 (3) C36—C35—H35A 110.9
O1—C2—C3 110.8 (3) C36—C35—H35B 110.9
O9—C49—O10 124.4 (3) H35A—C35—H35B 108.9
O9—C49—C47 122.4 (3) H4A—C4—H4B 109.5
O10—C49—C47 113.0 (3) H4A—C4—H4C 109.5
O7—C37—N5 123.4 (3) H4B—C4—H4C 109.5
O7—C37—C36 119.5 (3) C3—C4—H4A 109.5
N5—C37—C36 116.9 (3) C3—C4—H4B 109.5
O5—C19—N3 121.5 (3) C3—C4—H4C 109.5
O5—C19—C20 121.9 (3) C30—C29—H29 120.2
N3—C19—C20 116.6 (3) C28—C29—C30 119.6 (4)
O8—C46—N6 123.0 (3) C28—C29—H29 120.2
O8—C46—C38 121.6 (3) N3—C15—C14 110.2 (3)
N6—C46—C38 115.2 (3) N3—C15—H15 111.1
C45—C40—C39 120.8 (3) N3—C15—C16 103.3 (3)
C45—C40—C41 119.1 (3) C14—C15—H15 111.1
C41—C40—C39 120.1 (3) C14—C15—C16 109.9 (3)
N5—C38—C46 112.8 (2) C16—C15—H15 111.1
N5—C38—H38 106.2 C26—C27—H27 119.7
N5—C38—C39 111.5 (2) C26—C27—C28 120.6 (4)
C46—C38—H38 106.2 C28—C27—H27 119.7
C39—C38—C46 113.3 (3) C8—C13—H13 119.8
C39—C38—H38 106.2 C12—C13—C8 120.4 (4)
O6—C32—N4 121.7 (3) C12—C13—H13 119.8
O6—C32—C31 122.1 (3) N1—C3—C2 108.2 (3)
N4—C32—C31 116.2 (3) N1—C3—C4 111.1 (3)
C20—C25—C26 123.7 (3) N1—C3—H3 109.0
C24—C25—C20 117.9 (3) C2—C3—C4 110.4 (3)
C24—C25—C26 118.2 (3) C2—C3—H3 109.0
C25—C20—C19 123.3 (3) C4—C3—H3 109.0
C25—C20—C21 120.7 (3) C13—C12—H12 120.1
C21—C20—C19 116.1 (3) C11—C12—C13 119.8 (4)
N4—C33—H33A 111.3 C11—C12—H12 120.1
N4—C33—H33B 111.3 C9—C10—H10 119.8
N4—C33—C34 102.2 (2) C11—C10—C9 120.4 (4)
H33A—C33—H33B 109.2 C11—C10—H10 119.8
C34—C33—H33A 111.3 C29—C28—C27 120.2 (4)
C34—C33—H33B 111.3 C29—C28—H28 119.9
C40—C45—H45 119.7 C27—C28—H28 119.9
C40—C45—C44 120.6 (3) C12—C11—H11 120.0
C44—C45—H45 119.7 C10—C11—C12 120.1 (4)
C23—C22—H22 120.4 C10—C11—H11 120.0
C23—C22—C21 119.2 (3) N3—C18—H18C 111.3
C21—C22—H22 120.4 N3—C18—H18D 111.3
C26—C31—C32 122.2 (3) N3—C18—H18A 112.0
C30—C31—C32 118.1 (3) N3—C18—H18B 112.0
C30—C31—C26 119.6 (3) N3—C18—C17B 102.4 (3)
C33—C34—H34A 111.3 N3—C18—C17A 98.7 (6)
C33—C34—H34B 111.3 H18C—C18—H18D 109.2
H34A—C34—H34B 109.2 H18A—C18—H18B 109.7
C35—C34—C33 102.4 (3) C17B—C18—H18C 111.3
C35—C34—H34A 111.3 C17B—C18—H18D 111.3
C35—C34—H34B 111.3 C17A—C18—H18A 112.0
C40—C39—C38 110.2 (3) C17A—C18—H18B 112.0
C40—C39—H39A 109.6 C47—C48—H48A 109.5
C40—C39—H39B 109.6 C47—C48—H48B 109.5
C38—C39—H39A 109.6 C47—C48—H48C 109.5
C38—C39—H39B 109.6 H48A—C48—H48B 109.5
H39A—C39—H39B 108.1 H48A—C48—H48C 109.5
C40—C41—H41 119.7 H48B—C48—H48C 109.5
C42—C41—C40 120.5 (3) O10—C50—H50A 109.5
C42—C41—H41 119.7 O10—C50—H50B 109.5
C22—C23—H23 119.8 O10—C50—H50C 109.5
C22—C23—C24 120.4 (3) H50A—C50—H50B 109.5
C24—C23—H23 119.8 H50A—C50—H50C 109.5
C44—C43—H43 120.1 H50B—C50—H50C 109.5
C42—C43—H43 120.1 C15—C16—H16C 110.7
C42—C43—C44 119.8 (3) C15—C16—H16D 110.7
C9—C8—C7 120.1 (3) C15—C16—H16A 110.8
C9—C8—C13 119.2 (3) C15—C16—H16B 110.8
C13—C8—C7 120.6 (3) C15—C16—C17B 105.4 (3)
O4—C14—N2 123.0 (3) H16C—C16—H16D 108.8
O4—C14—C15 122.5 (3) H16A—C16—H16B 108.8
N2—C14—C15 114.4 (3) C17B—C16—H16C 110.7
C45—C44—C43 120.1 (3) C17B—C16—H16D 110.7
C45—C44—H44 120.0 C17A—C16—C15 104.9 (6)
C43—C44—H44 120.0 C17A—C16—H16A 110.8
C31—C26—C25 123.9 (3) C17A—C16—H16B 110.8
C27—C26—C25 117.3 (3) O1—C1—H1A 109.5
C27—C26—C31 118.8 (3) O1—C1—H1B 109.5
C8—C7—H7A 108.9 O1—C1—H1C 109.5
C8—C7—H7B 108.9 H1A—C1—H1B 109.5
C8—C7—C6 113.2 (3) H1A—C1—H1C 109.5
H7A—C7—H7B 107.8 H1B—C1—H1C 109.5
C6—C7—H7A 108.9 H11A—O11—H11B 104.4
C6—C7—H7B 108.9 C18—C17B—C16 101.5 (4)
N6—C47—C49 113.0 (3) C18—C17B—H17A 111.5
N6—C47—H47 108.4 C18—C17B—H17B 111.5
N6—C47—C48 109.6 (3) C16—C17B—H17A 111.5
C49—C47—H47 108.4 C16—C17B—H17B 111.5
C49—C47—C48 108.9 (3) H17A—C17B—H17B 109.3
C48—C47—H47 108.4 C18—C17A—H17C 109.6
N2—C6—C5 111.1 (3) C18—C17A—H17D 109.6
N2—C6—C7 109.1 (3) C16—C17A—C18 110.2 (11)
N2—C6—H6A 108.6 C16—C17A—H17C 109.6
C5—C6—H6A 108.6 C16—C17A—H17D 109.6
C7—C6—C5 110.7 (3) H17C—C17A—H17D 108.1
C7—C6—H6A 108.6