A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...
C2 C9 H9 106.9 . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C9 C11 H11A 109.5 . . ? C9 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C9 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C18 O6 H6A 109.5 . . ? C14 O7 H7 109.5 . . ? C15 O8 H8 109.5 . . ? C16 O9 H9A 109.5 . . ? C17 O10 H10 109.5 . . ? C19 C12 C18 104.8(4) . . ? C19 C12 C17 107.9(4) . . ? C18 C12 C17 109.3(4) . . ? C19 C12 C13 109.6(4) . . ? C18 C12 C13 114.4(4) . . ? C17 C12 C13 110.5(4) . . ? C14 C13 C20 113.4(4) . . ? C14 C13 C12 111.8(4) . . ? C20 C13 C12 113.1(4) . . ? C14 C13 H13 105.9 . . ? C20 C13 H13 105.9 . . ? C12 C13 H13 105.9 . . ? O7 C14 C15 110.4(4) . . ? O7 C14 C13 113.0(4) . . ? C15 C14 C13 108.9(4) . . ? O7 C14 H14 108.1 . . ? C15 C14 H14 108.1 . . ? C13 C14 H14 108.1 . . ? O8 C15 C16 107.8(4) . . ? O8 C15 C14 110.4(4) . . ? C16 C15 C14 109.8(4) . . ? O8 C15 H15 109.6 . . ? C16 C15 H15 109.6 . . ? C14 C15 H15 109.6 . . ? O9 C16 C15 113.0(4) . . ? O9 C16 C17 111.4(4) . . ? C15 C16 C17 109.8(4) . . ? O9 C16 H16 107.5 . . ? C15 C16 H16 107.5 . . ? C17 C16 H16 107.5 . . ? O10 C17 C16 108.3(3) . . ? O10 C17 C12 109.2(4) . . ? C16 C17 C12 114.5(4) . . ? O10 C17 H17 108.2 . . ? C16 C17 H17 108.2 . . ? C12 C17 H17 108.2 . . ? O6 C18 C12 116.7(4) . . ? O6 C18 H18A 108.1 . . ? C12 C18 H18A 108.1 . . ? O6 C18 H18B 108.1 . . ? C12 C18 H18B 108.1 . . ? H18A C18 H18B 107.3 . . ? C12 C19 H19A 109.5 . . ? C12 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C12 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C21 C20 C22 110.1(4) . . ? C21 C20 C13 114.4(4) . . ? C22 C20 C13 110.6(4) . . ? C21 C20 H20 107.1 . . ? C22 C20 H20 107.1 . . ? C13 C20 H20 107.1 . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? 333
H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? H1S O1S H2S 105(5) . . ? H3S O2S H4S 101(5) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C8 C1 C2 C3 167.5(4) . . . . ? C6 C1 C2 C3 47.9(5) . . . . ? C7 C1 C2 C3 -72.1(5) . . . . ? C8 C1 C2 C9 -60.7(5) . . . . ? C6 C1 C2 C9 179.6(4) . . . . ? C7 C1 C2 C9 59.6(5) . . . . ? C9 C2 C3 O2 57.9(5) . . . . ? C1 C2 C3 O2 -170.5(4) . . . . ? C9 C2 C3 C4 178.0(4) . . . . ? C1 C2 C3 C4 -50.4(5) . . . . ? O2 C3 C4 O3 -62.8(5) . . . . ? C2 C3 C4 O3 176.8(3) . . . . ? O2 C3 C4 C5 175.5(4) . . . . ? C2 C3 C4 C5 55.1(5) . . . . ? O3 C4 C5 O4 61.1(5) . . . . ? C3 C4 C5 O4 -176.3(4) . . . . ? O3 C4 C5 C6 -179.9(4) . . . . ? C3 C4 C5 C6 -57.3(5) . . . . ? O4 C5 C6 O5 57.1(5) . . . . ? C4 C5 C6 O5 -65.2(5) . . . . ? O4 C5 C6 C1 177.1(4) . . . . ? C4 C5 C6 C1 54.8(5) . . . . ? C8 C1 C6 O5 -51.1(5) . . . . ? C7 C1 C6 O5 -168.9(4) . . . . ? C2 C1 C6 O5 70.3(5) . . . . ? C8 C1 C6 C5 -171.5(4) . . . . ? C7 C1 C6 C5 70.7(5) . . . . ? C2 C1 C6 C5 -50.1(5) . . . . ? C8 C1 C7 O1 -66.9(5) . . . . ? C6 C1 C7 O1 50.0(5) . . . . ? C2 C1 C7 O1 171.7(4) . . . . ? C3 C2 C9 C11 -90.4(5) . . . . ? C1 C2 C9 C11 138.4(4) . . . . ? C3 C2 C9 C10 34.8(6) . . . . ? C1 C2 C9 C10 -96.5(5) . . . . ? C19 C12 C13 C14 167.2(4) . . . . ? C18 C12 C13 C14 -75.4(5) . . . . ? C17 C12 C13 C14 48.5(5) . . . . ? C19 C12 C13 C20 -63.3(5) . . . . ? C18 C12 C13 C20 54.0(5) . . . . ? C17 C12 C13 C20 177.9(4) . . . . ? C20 C13 C14 O7 50.0(5) . . . . ? C12 C13 C14 O7 179.3(4) . . . . ? C20 C13 C14 C15 173.1(4) . . . . ? C12 C13 C14 C15 -57.7(5) . . . . ? O7 C14 C15 O8 -51.9(5) . . . . ? C13 C14 C15 O8 -176.5(4) . . . . ? O7 C14 C15 C16 -170.7(4) . . . . ? C13 C14 C15 C16 64.7(5) . . . . ? O8 C15 C16 O9 52.4(5) . . . . ? C14 C15 C16 O9 172.8(4) . . . . ? O8 C15 C16 C17 177.4(3) . . . . ? C14 C15 C16 C17 -62.2(5) . . . . ? O9 C16 C17 O10 58.0(5) . . . . ? C15 C16 C17 O10 -67.9(4) . . . . ? 334
- Page 281 and 282: 282
- Page 283 and 284: 284
- Page 285 and 286: Absolute structure parameter 1.3(11
- Page 287 and 288: _diffrn_standards_interval_time ? _
- Page 289 and 290: H13 H 0.8405 0.7136 -0.0889 0.026 U
- Page 291 and 292: C4 C5 1.454(2) . ? C5 C6 1.324(2) .
- Page 293 and 294: C24 C23 C22 120.0(2) . . ? C24 C23
- Page 295 and 296: . Compound 102c Ph O N Ph Me 102c O
- Page 297 and 298: _diffrn_standards_interval_time ? _
- Page 299 and 300: H11 H 0.8924 0.9592 0.6829 0.022 Ui
- Page 301 and 302: C2 H2 1.0000 . ? C3 C21 1.506(2) .
- Page 303 and 304: C26 C21 C3 121.41(15) . . ? C23 C22
- Page 305 and 306: c. Compound 213 Ph O N Ph Me OH 213
- Page 307 and 308: _cell_volume 1080.9(4) _cell_formul
- Page 309 and 310: _refine_ls_number_reflns 4736 _refi
- Page 311 and 312: H25 H 0.7979 0.2335 0.3365 0.028 Ui
- Page 313 and 314: C4 0.025(4) 0.019(4) 0.018(4) 0.001
- Page 315 and 316: loop_ _geom_bond_atom_site_label_1
- Page 317 and 318: C9 C4 C1 107.1(5) . . ? C10 C4 C1 1
- Page 319 and 320: C36 C38 H38A 109.5 . . ? C36 C38 H3
- Page 321 and 322: C29 C30 C36 C37 -90.4(7) . . . . ?
- Page 323 and 324: The structure was solved by the dir
- Page 325 and 326: _reflns_number_total 2447 _reflns_n
- Page 327 and 328: C7 C 1.1671(4) 0.7629(7) 1.2254(4)
- Page 329 and 330: C3 0.015(3) 0.016(3) 0.021(3) -0.00
- Page 331: C21 H21A 0.9800 . ? C21 H21B 0.9800
H21A C21 H21C 109.5 . . ?<br />
H21B C21 H21C 109.5 . . ?<br />
C20 C22 H22A 109.5 . . ?<br />
C20 C22 H22B 109.5 . . ?<br />
H22A C22 H22B 109.5 . . ?<br />
C20 C22 H22C 109.5 . . ?<br />
H22A C22 H22C 109.5 . . ?<br />
H22B C22 H22C 109.5 . . ?<br />
H1S O1S H2S 105(5) . . ?<br />
H3S O2S H4S 101(5) . . ?<br />
loop_<br />
_geom_<strong>to</strong>rsion_a<strong>to</strong>m_site_label_1<br />
_geom_<strong>to</strong>rsion_a<strong>to</strong>m_site_label_2<br />
_geom_<strong>to</strong>rsion_a<strong>to</strong>m_site_label_3<br />
_geom_<strong>to</strong>rsion_a<strong>to</strong>m_site_label_4<br />
_geom_<strong>to</strong>rsion<br />
_geom_<strong>to</strong>rsion_site_symmetry_1<br />
_geom_<strong>to</strong>rsion_site_symmetry_2<br />
_geom_<strong>to</strong>rsion_site_symmetry_3<br />
_geom_<strong>to</strong>rsion_site_symmetry_4<br />
_geom_<strong>to</strong>rsion_publ_flag<br />
C8 C1 C2 C3 167.5(4) . . . . ?<br />
C6 C1 C2 C3 47.9(5) . . . . ?<br />
C7 C1 C2 C3 -72.1(5) . . . . ?<br />
C8 C1 C2 C9 -60.7(5) . . . . ?<br />
C6 C1 C2 C9 179.6(4) . . . . ?<br />
C7 C1 C2 C9 59.6(5) . . . . ?<br />
C9 C2 C3 O2 57.9(5) . . . . ?<br />
C1 C2 C3 O2 -170.5(4) . . . . ?<br />
C9 C2 C3 C4 178.0(4) . . . . ?<br />
C1 C2 C3 C4 -50.4(5) . . . . ?<br />
O2 C3 C4 O3 -62.8(5) . . . . ?<br />
C2 C3 C4 O3 176.8(3) . . . . ?<br />
O2 C3 C4 C5 175.5(4) . . . . ?<br />
C2 C3 C4 C5 55.1(5) . . . . ?<br />
O3 C4 C5 O4 61.1(5) . . . . ?<br />
C3 C4 C5 O4 -176.3(4) . . . . ?<br />
O3 C4 C5 C6 -179.9(4) . . . . ?<br />
C3 C4 C5 C6 -57.3(5) . . . . ?<br />
O4 C5 C6 O5 57.1(5) . . . . ?<br />
C4 C5 C6 O5 -65.2(5) . . . . ?<br />
O4 C5 C6 C1 177.1(4) . . . . ?<br />
C4 C5 C6 C1 54.8(5) . . . . ?<br />
C8 C1 C6 O5 -51.1(5) . . . . ?<br />
C7 C1 C6 O5 -168.9(4) . . . . ?<br />
C2 C1 C6 O5 70.3(5) . . . . ?<br />
C8 C1 C6 C5 -171.5(4) . . . . ?<br />
C7 C1 C6 C5 70.7(5) . . . . ?<br />
C2 C1 C6 C5 -50.1(5) . . . . ?<br />
C8 C1 C7 O1 -66.9(5) . . . . ?<br />
C6 C1 C7 O1 50.0(5) . . . . ?<br />
C2 C1 C7 O1 171.7(4) . . . . ?<br />
C3 C2 C9 C11 -90.4(5) . . . . ?<br />
C1 C2 C9 C11 138.4(4) . . . . ?<br />
C3 C2 C9 C10 34.8(6) . . . . ?<br />
C1 C2 C9 C10 -96.5(5) . . . . ?<br />
C19 C12 C13 C14 167.2(4) . . . . ?<br />
C18 C12 C13 C14 -75.4(5) . . . . ?<br />
C17 C12 C13 C14 48.5(5) . . . . ?<br />
C19 C12 C13 C20 -63.3(5) . . . . ?<br />
C18 C12 C13 C20 54.0(5) . . . . ?<br />
C17 C12 C13 C20 177.9(4) . . . . ?<br />
C20 C13 C14 O7 50.0(5) . . . . ?<br />
C12 C13 C14 O7 179.3(4) . . . . ?<br />
C20 C13 C14 C15 173.1(4) . . . . ?<br />
C12 C13 C14 C15 -57.7(5) . . . . ?<br />
O7 C14 C15 O8 -51.9(5) . . . . ?<br />
C13 C14 C15 O8 -176.5(4) . . . . ?<br />
O7 C14 C15 C16 -170.7(4) . . . . ?<br />
C13 C14 C15 C16 64.7(5) . . . . ?<br />
O8 C15 C16 O9 52.4(5) . . . . ?<br />
C14 C15 C16 O9 172.8(4) . . . . ?<br />
O8 C15 C16 C17 177.4(3) . . . . ?<br />
C14 C15 C16 C17 -62.2(5) . . . . ?<br />
O9 C16 C17 O10 58.0(5) . . . . ?<br />
C15 C16 C17 O10 -67.9(4) . . . . ?<br />
334
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