A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...
C29 C35 1.548(8) . ? C29 C30 1.554(8) . ? C30 C31 1.537(8) . ? C30 C36 1.546(9) . ? C30 H30 1.0000 . ? C31 O5 1.446(7) . ? C31 C32 1.494(9) . ? C31 H31 1.0000 . ? C32 O6 1.438(7) . ? C32 C33 1.493(9) . ? C32 H32 1.0000 . ? C33 C34 1.326(8) . ? C33 H33 0.9500 . ? C34 H34 0.9500 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 C38 1.526(8) . ? C36 C37 1.538(9) . ? C36 H36 1.0000 . ? C37 H37A 0.9800 . ? C37 H37B 0.9800 . ? C37 H37C 0.9800 . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 C40 1.361(9) . ? C39 C44 1.404(10) . ? C40 C41 1.412(9) . ? C40 H40 0.9500 . ? C41 C42 1.391(11) . ? C41 H41 0.9500 . ? C42 C43 1.351(11) . ? C42 H42 0.9500 . ? C43 C44 1.391(10) . ? C43 H43 0.9500 . ? C44 H44 0.9500 . ? C45 C50 1.378(9) . ? C45 C46 1.381(9) . ? C46 C47 1.371(9) . ? C46 H46 0.9500 . ? C47 C48 1.372(10) . ? C47 H47 0.9500 . ? C48 C49 1.405(10) . ? C48 H48 0.9500 . ? C49 C50 1.394(9) . ? C49 H49 0.9500 . ? C50 H50 0.9500 . ? O2 H2A 0.8400 . ? O3 H3A 0.8400 . ? O5 H5A 0.8400 . ? O6 H6A 0.8400 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 C1 O1 119.6(6) . . ? N1 C1 C4 125.5(6) . . ? O1 C1 C4 114.9(5) . . ? O1 C2 C14 108.1(5) . . ? O1 C2 C3 103.8(5) . . ? C14 C2 C3 115.7(6) . . ? O1 C2 H2 109.7 . . ? C14 C2 H2 109.7 . . ? C3 C2 H2 109.7 . . ? N1 C3 C20 112.7(5) . . ? N1 C3 C2 104.5(5) . . ? C20 C3 C2 116.8(5) . . ? N1 C3 H3 107.5 . . ? C20 C3 H3 107.5 . . ? C2 C3 H3 107.5 . . ? C9 C4 C10 107.8(5) . . ? 317
C9 C4 C1 107.1(5) . . ? C10 C4 C1 107.9(6) . . ? C9 C4 C5 109.3(5) . . ? C10 C4 C5 111.5(5) . . ? C1 C4 C5 113.0(5) . . ? C6 C5 C11 116.7(5) . . ? C6 C5 C4 109.6(5) . . ? C11 C5 C4 116.0(5) . . ? C6 C5 H5 104.3 . . ? C11 C5 H5 104.3 . . ? C4 C5 H5 104.3 . . ? O2 C6 C5 111.7(5) . . ? O2 C6 C7 107.5(5) . . ? C5 C6 C7 109.9(5) . . ? O2 C6 H6 109.2 . . ? C5 C6 H6 109.2 . . ? C7 C6 H6 109.2 . . ? O3 C7 C8 105.6(5) . . ? O3 C7 C6 111.9(5) . . ? C8 C7 C6 113.4(5) . . ? O3 C7 H7 108.6 . . ? C8 C7 H7 108.6 . . ? C6 C7 H7 108.6 . . ? C9 C8 C7 123.5(6) . . ? C9 C8 H8 118.3 . . ? C7 C8 H8 118.3 . . ? C8 C9 C4 124.0(6) . . ? C8 C9 H9 118.0 . . ? C4 C9 H9 118.0 . . ? C4 C10 H10A 109.5 . . ? C4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C13 C11 C5 111.9(5) . . ? C13 C11 C12 109.3(6) . . ? C5 C11 C12 114.6(5) . . ? C13 C11 H11 106.9 . . ? C5 C11 H11 106.9 . . ? C12 C11 H11 106.9 . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C15 C14 C19 120.0(7) . . ? C15 C14 C2 121.5(7) . . ? C19 C14 C2 118.5(6) . . ? C14 C15 C16 118.7(7) . . ? C14 C15 H15 120.7 . . ? C16 C15 H15 120.7 . . ? C17 C16 C15 121.7(7) . . ? C17 C16 H16 119.2 . . ? C15 C16 H16 119.2 . . ? C16 C17 C18 120.1(7) . . ? C16 C17 H17 119.9 . . ? C18 C17 H17 119.9 . . ? C17 C18 C19 118.6(7) . . ? C17 C18 H18 120.7 . . ? C19 C18 H18 120.7 . . ? C14 C19 C18 120.9(7) . . ? C14 C19 H19 119.5 . . ? C18 C19 H19 119.5 . . ? C25 C20 C21 118.3(6) . . ? C25 C20 C3 122.2(6) . . ? C21 C20 C3 119.4(6) . . ? C22 C21 C20 120.6(7) . . ? C22 C21 H21 119.7 . . ? 318
- Page 265 and 266: Experimental for chapter 4.2 310 R
- Page 267 and 268: Experimental for chapter 4.2 10.0,
- Page 269 and 270: Experimental for chapter 4.2 cm 3 )
- Page 271 and 272: Experimental for chapter 4.2 Synthe
- Page 273 and 274: Experimental for chapter 4.2 5.7 Re
- Page 275 and 276: 276
- Page 277 and 278: 278
- Page 279 and 280: 280
- 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: loop_ _geom_bond_atom_site_label_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 and 332: C21 H21A 0.9800 . ? C21 H21B 0.9800
- Page 333 and 334: H21A C21 H21C 109.5 . . ? H21B C21
C9 C4 C1 107.1(5) . . ?<br />
C10 C4 C1 107.9(6) . . ?<br />
C9 C4 C5 109.3(5) . . ?<br />
C10 C4 C5 111.5(5) . . ?<br />
C1 C4 C5 113.0(5) . . ?<br />
C6 C5 C11 116.7(5) . . ?<br />
C6 C5 C4 109.6(5) . . ?<br />
C11 C5 C4 116.0(5) . . ?<br />
C6 C5 H5 104.3 . . ?<br />
C11 C5 H5 104.3 . . ?<br />
C4 C5 H5 104.3 . . ?<br />
O2 C6 C5 111.7(5) . . ?<br />
O2 C6 C7 107.5(5) . . ?<br />
C5 C6 C7 109.9(5) . . ?<br />
O2 C6 H6 109.2 . . ?<br />
C5 C6 H6 109.2 . . ?<br />
C7 C6 H6 109.2 . . ?<br />
O3 C7 C8 105.6(5) . . ?<br />
O3 C7 C6 111.9(5) . . ?<br />
C8 C7 C6 113.4(5) . . ?<br />
O3 C7 H7 108.6 . . ?<br />
C8 C7 H7 108.6 . . ?<br />
C6 C7 H7 108.6 . . ?<br />
C9 C8 C7 123.5(6) . . ?<br />
C9 C8 H8 118.3 . . ?<br />
C7 C8 H8 118.3 . . ?<br />
C8 C9 C4 124.0(6) . . ?<br />
C8 C9 H9 118.0 . . ?<br />
C4 C9 H9 118.0 . . ?<br />
C4 C10 H10A 109.5 . . ?<br />
C4 C10 H10B 109.5 . . ?<br />
H10A C10 H10B 109.5 . . ?<br />
C4 C10 H10C 109.5 . . ?<br />
H10A C10 H10C 109.5 . . ?<br />
H10B C10 H10C 109.5 . . ?<br />
C13 C11 C5 111.9(5) . . ?<br />
C13 C11 C12 109.3(6) . . ?<br />
C5 C11 C12 114.6(5) . . ?<br />
C13 C11 H11 106.9 . . ?<br />
C5 C11 H11 106.9 . . ?<br />
C12 C11 H11 106.9 . . ?<br />
C11 C12 H12A 109.5 . . ?<br />
C11 C12 H12B 109.5 . . ?<br />
H12A C12 H12B 109.5 . . ?<br />
C11 C12 H12C 109.5 . . ?<br />
H12A C12 H12C 109.5 . . ?<br />
H12B C12 H12C 109.5 . . ?<br />
C11 C13 H13A 109.5 . . ?<br />
C11 C13 H13B 109.5 . . ?<br />
H13A C13 H13B 109.5 . . ?<br />
C11 C13 H13C 109.5 . . ?<br />
H13A C13 H13C 109.5 . . ?<br />
H13B C13 H13C 109.5 . . ?<br />
C15 C14 C19 120.0(7) . . ?<br />
C15 C14 C2 121.5(7) . . ?<br />
C19 C14 C2 118.5(6) . . ?<br />
C14 C15 C16 118.7(7) . . ?<br />
C14 C15 H15 120.7 . . ?<br />
C16 C15 H15 120.7 . . ?<br />
C17 C16 C15 121.7(7) . . ?<br />
C17 C16 H16 119.2 . . ?<br />
C15 C16 H16 119.2 . . ?<br />
C16 C17 C18 120.1(7) . . ?<br />
C16 C17 H17 119.9 . . ?<br />
C18 C17 H17 119.9 . . ?<br />
C17 C18 C19 118.6(7) . . ?<br />
C17 C18 H18 120.7 . . ?<br />
C19 C18 H18 120.7 . . ?<br />
C14 C19 C18 120.9(7) . . ?<br />
C14 C19 H19 119.5 . . ?<br />
C18 C19 H19 119.5 . . ?<br />
C25 C20 C21 118.3(6) . . ?<br />
C25 C20 C3 122.2(6) . . ?<br />
C21 C20 C3 119.4(6) . . ?<br />
C22 C21 C20 120.6(7) . . ?<br />
C22 C21 H21 119.7 . . ?<br />
318
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