A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...
C20 C21 H21 119.7 . . ? C21 C22 C23 121.1(7) . . ? C21 C22 H22 119.5 . . ? C23 C22 H22 119.5 . . ? C22 C23 C24 119.2(7) . . ? C22 C23 H23 120.4 . . ? C24 C23 H23 120.4 . . ? C25 C24 C23 119.1(7) . . ? C25 C24 H24 120.4 . . ? C23 C24 H24 120.4 . . ? C20 C25 C24 121.6(7) . . ? C20 C25 H25 119.2 . . ? C24 C25 H25 119.2 . . ? N2 C26 O4 118.2(6) . . ? N2 C26 C29 125.4(6) . . ? O4 C26 C29 116.1(6) . . ? O4 C27 C39 108.2(5) . . ? O4 C27 C28 104.2(5) . . ? C39 C27 C28 114.9(6) . . ? O4 C27 H27 109.8 . . ? C39 C27 H27 109.8 . . ? C28 C27 H27 109.8 . . ? N2 C28 C45 113.8(5) . . ? N2 C28 C27 104.3(5) . . ? C45 C28 C27 115.1(6) . . ? N2 C28 H28 107.8 . . ? C45 C28 H28 107.8 . . ? C27 C28 H28 107.8 . . ? C26 C29 C34 106.7(5) . . ? C26 C29 C35 108.7(5) . . ? C34 C29 C35 107.6(6) . . ? C26 C29 C30 113.7(6) . . ? C34 C29 C30 108.8(5) . . ? C35 C29 C30 111.1(5) . . ? C31 C30 C36 116.6(5) . . ? C31 C30 C29 108.8(5) . . ? C36 C30 C29 116.6(5) . . ? C31 C30 H30 104.4 . . ? C36 C30 H30 104.4 . . ? C29 C30 H30 104.4 . . ? O5 C31 C32 107.9(5) . . ? O5 C31 C30 111.3(5) . . ? C32 C31 C30 110.1(6) . . ? O5 C31 H31 109.2 . . ? C32 C31 H31 109.2 . . ? C30 C31 H31 109.2 . . ? O6 C32 C33 105.7(5) . . ? O6 C32 C31 112.5(6) . . ? C33 C32 C31 111.9(5) . . ? O6 C32 H32 108.9 . . ? C33 C32 H32 108.9 . . ? C31 C32 H32 108.9 . . ? C34 C33 C32 125.0(6) . . ? C34 C33 H33 117.5 . . ? C32 C33 H33 117.5 . . ? C33 C34 C29 122.3(6) . . ? C33 C34 H34 118.8 . . ? C29 C34 H34 118.8 . . ? C29 C35 H35A 109.5 . . ? C29 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C29 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C38 C36 C37 111.2(6) . . ? C38 C36 C30 111.0(6) . . ? C37 C36 C30 116.0(5) . . ? C38 C36 H36 106.0 . . ? C37 C36 H36 106.0 . . ? C30 C36 H36 106.0 . . ? C36 C37 H37A 109.5 . . ? C36 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C36 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? 319
C36 C38 H38A 109.5 . . ? C36 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C36 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C40 C39 C44 119.2(7) . . ? C40 C39 C27 120.9(6) . . ? C44 C39 C27 119.9(7) . . ? C39 C40 C41 121.2(7) . . ? C39 C40 H40 119.4 . . ? C41 C40 H40 119.4 . . ? C42 C41 C40 118.4(8) . . ? C42 C41 H41 120.8 . . ? C40 C41 H41 120.8 . . ? C43 C42 C41 120.7(8) . . ? C43 C42 H42 119.7 . . ? C41 C42 H42 119.7 . . ? C42 C43 C44 121.0(8) . . ? C42 C43 H43 119.5 . . ? C44 C43 H43 119.5 . . ? C43 C44 C39 119.5(8) . . ? C43 C44 H44 120.2 . . ? C39 C44 H44 120.2 . . ? C50 C45 C46 118.9(7) . . ? C50 C45 C28 122.0(6) . . ? C46 C45 C28 119.0(6) . . ? C47 C46 C45 120.0(7) . . ? C47 C46 H46 120.0 . . ? C45 C46 H46 120.0 . . ? C46 C47 C48 122.3(7) . . ? C46 C47 H47 118.8 . . ? C48 C47 H47 118.8 . . ? C47 C48 C49 118.2(7) . . ? C47 C48 H48 120.9 . . ? C49 C48 H48 120.9 . . ? C50 C49 C48 119.1(7) . . ? C50 C49 H49 120.4 . . ? C48 C49 H49 120.4 . . ? C45 C50 C49 121.3(7) . . ? C45 C50 H50 119.3 . . ? C49 C50 H50 119.3 . . ? C1 N1 C3 105.5(5) . . ? C26 N2 C28 107.3(6) . . ? C1 O1 C2 104.1(5) . . ? C6 O2 H2A 109.5 . . ? C7 O3 H3A 109.5 . . ? C26 O4 C27 105.7(5) . . ? C31 O5 H5A 109.5 . . ? C32 O6 H6A 109.5 . . ? 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 O1 C2 C3 N1 -15.7(6) . . . . ? C14 C2 C3 N1 -133.9(6) . . . . ? O1 C2 C3 C20 -140.9(6) . . . . ? C14 C2 C3 C20 100.9(7) . . . . ? N1 C1 C4 C9 -5.2(9) . . . . ? O1 C1 C4 C9 171.5(6) . . . . ? N1 C1 C4 C10 -121.1(7) . . . . ? O1 C1 C4 C10 55.7(7) . . . . ? N1 C1 C4 C5 115.1(7) . . . . ? O1 C1 C4 C5 -68.1(7) . . . . ? C9 C4 C5 C6 48.6(7) . . . . ? C10 C4 C5 C6 167.7(5) . . . . ? C1 C4 C5 C6 -70.5(6) . . . . ? C9 C4 C5 C11 -176.5(5) . . . . ? C10 C4 C5 C11 -57.4(7) . . . . ? 320
- 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 and 316: loop_ _geom_bond_atom_site_label_1
- Page 317: C9 C4 C1 107.1(5) . . ? C10 C4 C1 1
- 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
C20 C21 H21 119.7 . . ?<br />
C21 C22 C23 121.1(7) . . ?<br />
C21 C22 H22 119.5 . . ?<br />
C23 C22 H22 119.5 . . ?<br />
C22 C23 C24 119.2(7) . . ?<br />
C22 C23 H23 120.4 . . ?<br />
C24 C23 H23 120.4 . . ?<br />
C25 C24 C23 119.1(7) . . ?<br />
C25 C24 H24 120.4 . . ?<br />
C23 C24 H24 120.4 . . ?<br />
C20 C25 C24 121.6(7) . . ?<br />
C20 C25 H25 119.2 . . ?<br />
C24 C25 H25 119.2 . . ?<br />
N2 C26 O4 118.2(6) . . ?<br />
N2 C26 C29 125.4(6) . . ?<br />
O4 C26 C29 116.1(6) . . ?<br />
O4 C27 C39 108.2(5) . . ?<br />
O4 C27 C28 104.2(5) . . ?<br />
C39 C27 C28 114.9(6) . . ?<br />
O4 C27 H27 109.8 . . ?<br />
C39 C27 H27 109.8 . . ?<br />
C28 C27 H27 109.8 . . ?<br />
N2 C28 C45 113.8(5) . . ?<br />
N2 C28 C27 104.3(5) . . ?<br />
C45 C28 C27 115.1(6) . . ?<br />
N2 C28 H28 107.8 . . ?<br />
C45 C28 H28 107.8 . . ?<br />
C27 C28 H28 107.8 . . ?<br />
C26 C29 C34 106.7(5) . . ?<br />
C26 C29 C35 108.7(5) . . ?<br />
C34 C29 C35 107.6(6) . . ?<br />
C26 C29 C30 113.7(6) . . ?<br />
C34 C29 C30 108.8(5) . . ?<br />
C35 C29 C30 111.1(5) . . ?<br />
C31 C30 C36 116.6(5) . . ?<br />
C31 C30 C29 108.8(5) . . ?<br />
C36 C30 C29 116.6(5) . . ?<br />
C31 C30 H30 104.4 . . ?<br />
C36 C30 H30 104.4 . . ?<br />
C29 C30 H30 104.4 . . ?<br />
O5 C31 C32 107.9(5) . . ?<br />
O5 C31 C30 111.3(5) . . ?<br />
C32 C31 C30 110.1(6) . . ?<br />
O5 C31 H31 109.2 . . ?<br />
C32 C31 H31 109.2 . . ?<br />
C30 C31 H31 109.2 . . ?<br />
O6 C32 C33 105.7(5) . . ?<br />
O6 C32 C31 112.5(6) . . ?<br />
C33 C32 C31 111.9(5) . . ?<br />
O6 C32 H32 108.9 . . ?<br />
C33 C32 H32 108.9 . . ?<br />
C31 C32 H32 108.9 . . ?<br />
C34 C33 C32 125.0(6) . . ?<br />
C34 C33 H33 117.5 . . ?<br />
C32 C33 H33 117.5 . . ?<br />
C33 C34 C29 122.3(6) . . ?<br />
C33 C34 H34 118.8 . . ?<br />
C29 C34 H34 118.8 . . ?<br />
C29 C35 H35A 109.5 . . ?<br />
C29 C35 H35B 109.5 . . ?<br />
H35A C35 H35B 109.5 . . ?<br />
C29 C35 H35C 109.5 . . ?<br />
H35A C35 H35C 109.5 . . ?<br />
H35B C35 H35C 109.5 . . ?<br />
C38 C36 C37 111.2(6) . . ?<br />
C38 C36 C30 111.0(6) . . ?<br />
C37 C36 C30 116.0(5) . . ?<br />
C38 C36 H36 106.0 . . ?<br />
C37 C36 H36 106.0 . . ?<br />
C30 C36 H36 106.0 . . ?<br />
C36 C37 H37A 109.5 . . ?<br />
C36 C37 H37B 109.5 . . ?<br />
H37A C37 H37B 109.5 . . ?<br />
C36 C37 H37C 109.5 . . ?<br />
H37A C37 H37C 109.5 . . ?<br />
H37B C37 H37C 109.5 . . ?<br />
319
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