A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...
O9 C16 C17 C12 -179.9(4) . . . . ? C15 C16 C17 C12 54.2(5) . . . . ? C19 C12 C17 O10 -45.1(5) . . . . ? C18 C12 C17 O10 -158.6(4) . . . . ? C13 C12 C17 O10 74.7(4) . . . . ? C19 C12 C17 C16 -166.8(4) . . . . ? C18 C12 C17 C16 79.8(5) . . . . ? C13 C12 C17 C16 -46.9(5) . . . . ? C19 C12 C18 O6 -175.9(4) . . . . ? C17 C12 C18 O6 -60.4(5) . . . . ? C13 C12 C18 O6 64.0(5) . . . . ? C14 C13 C20 C21 34.1(6) . . . . ? C12 C13 C20 C21 -94.5(5) . . . . ? C14 C13 C20 C22 -90.9(5) . . . . ? C12 C13 C20 C22 140.5(4) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O2S H4S O2 0.93(7) 1.84(8) 2.760(5) 171(7) 2_647 O2S H3S O8 0.93(6) 1.91(6) 2.770(4) 153(5) 2_647 O1S H2S O1 0.91(5) 1.81(5) 2.705(5) 167(5) 2_747 O1S H1S O3 0.78(6) 1.99(6) 2.748(5) 163(6) . O10 H10 O5 0.84 1.89 2.727(4) 171.3 2_647 O9 H9A O1S 0.84 1.83 2.644(5) 162.6 2_657 O8 H8 O9 0.84 1.83 2.628(4) 156.8 2_657 O7 H7 O2S 0.84 2.04 2.867(5) 166.6 1_565 O6 H6A O2S 0.84 1.92 2.756(5) 178.3 . O5 H5 O1S 0.84 2.09 2.854(5) 151.0 1_565 O4 H4 O3 0.84 2.44 2.849(5) 110.7 . O3 H3 O8 0.84 1.90 2.705(4) 159.5 . O2 H2 O10 0.84 1.98 2.808(5) 170.5 2_647 O1 H1 O6 0.84 1.97 2.709(5) 146.8 2_757 _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.02 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.250 _refine_diff_density_min -0.203 _refine_diff_density_rms 0. 335
- 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 and 332: C21 H21A 0.9800 . ? C21 H21B 0.9800
- Page 333: H21A C21 H21C 109.5 . . ? H21B C21
O9 C16 C17 C12 -179.9(4) . . . . ?<br />
C15 C16 C17 C12 54.2(5) . . . . ?<br />
C19 C12 C17 O10 -45.1(5) . . . . ?<br />
C18 C12 C17 O10 -158.6(4) . . . . ?<br />
C13 C12 C17 O10 74.7(4) . . . . ?<br />
C19 C12 C17 C16 -166.8(4) . . . . ?<br />
C18 C12 C17 C16 79.8(5) . . . . ?<br />
C13 C12 C17 C16 -46.9(5) . . . . ?<br />
C19 C12 C18 O6 -175.9(4) . . . . ?<br />
C17 C12 C18 O6 -60.4(5) . . . . ?<br />
C13 C12 C18 O6 64.0(5) . . . . ?<br />
C14 C13 C20 C21 34.1(6) . . . . ?<br />
C12 C13 C20 C21 -94.5(5) . . . . ?<br />
C14 C13 C20 C22 -90.9(5) . . . . ?<br />
C12 C13 C20 C22 140.5(4) . . . . ?<br />
loop_<br />
_geom_hbond_a<strong>to</strong>m_site_label_D<br />
_geom_hbond_a<strong>to</strong>m_site_label_H<br />
_geom_hbond_a<strong>to</strong>m_site_label_A<br />
_geom_hbond_distance_DH<br />
_geom_hbond_distance_HA<br />
_geom_hbond_distance_DA<br />
_geom_hbond_angle_DHA<br />
_geom_hbond_site_symmetry_A<br />
O2S H4S O2 0.93(7) 1.84(8) 2.760(5) 171(7)<br />
2_647<br />
O2S H3S O8 0.93(6) 1.91(6) 2.770(4) 153(5)<br />
2_647<br />
O1S H2S O1 0.91(5) 1.81(5) 2.705(5) 167(5)<br />
2_747<br />
O1S H1S O3 0.78(6) 1.99(6) 2.748(5) 163(6) .<br />
O10 H10 O5 0.84 1.89 2.727(4) 171.3 2_647<br />
O9 H9A O1S 0.84 1.83 2.644(5) 162.6 2_657<br />
O8 H8 O9 0.84 1.83 2.628(4) 156.8 2_657<br />
O7 H7 O2S 0.84 2.04 2.867(5) 166.6 1_565<br />
O6 H6A O2S 0.84 1.92 2.756(5) 178.3 .<br />
O5 H5 O1S 0.84 2.09 2.854(5) 151.0 1_565<br />
O4 H4 O3 0.84 2.44 2.849(5) 110.7 .<br />
O3 H3 O8 0.84 1.90 2.705(4) 159.5 .<br />
O2 H2 O10 0.84 1.98 2.808(5) 170.5 2_647<br />
O1 H1 O6 0.84 1.97 2.709(5) 146.8 2_757<br />
_diffrn_measured_fraction_theta_max 0.998<br />
_diffrn_reflns_theta_full 25.02<br />
_diffrn_measured_fraction_theta_full 0.998<br />
_refine_diff_density_max 0.250<br />
_refine_diff_density_min -0.203<br />
_refine_diff_density_rms 0.<br />
335
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