A Route to Carbasugar Analogues - Jonathan Clayden - The ...
A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...
Appendix B – Crystallographic Information Files (cif) a. Compound 102b Ph O N Ph Me OMe 102b Identification code s2170m Empirical formula C26 H29 N O2 Formula weight 387.50 Temperature 100(2) K Wavelength 0.71073 A Crystal system, space group Orthorhombic, P2(1)2(1)2(1) Unit cell dimensions a = 12.1398(11) A alpha = 90 deg. b = 12.8480(11) A beta = 90 deg. c = 13.5618(12) A gamma = 90 deg. Volume 2115.3(3) A^3 Z, Calculated density 4, 1.217 Mg/m^3 Absorption coefficient 0.076 mm^-1 F(000) 832 Crystal size 0.40 x 0.20 x 0.15 mm Theta range for data collection 2.18 to 28.29 deg. Limiting indices -14
Absolute structure parameter 1.3(11) Largest diff. peak and hole 0.175 and -0.143 e.A^-3 286
- Page 233 and 234: Experimental for chapter 3.1 Synthe
- Page 235 and 236: Experimental for chapter 3.2 Synthe
- Page 237 and 238: Experimental for chapter 3.2 Synthe
- Page 239 and 240: Experimental for chapter 3.2 Synthe
- Page 241 and 242: Experimental for chapter 3.2 Synthe
- Page 243 and 244: Experimental for chapter 3.2 Synthe
- Page 245 and 246: Experimental for chapter 3.2 Synthe
- Page 247 and 248: Experimental for chapter 4.1 281 R
- Page 249 and 250: Experimental for chapter 4.1 combin
- Page 251 and 252: Experimental for chapter 4.1 Synthe
- Page 253 and 254: Experimental for chapter 4.1 Synthe
- Page 255 and 256: Experimental for chapter 4.1 291 R
- Page 257 and 258: Experimental for chapter 4.1 3H, OB
- Page 259 and 260: Experimental for chapter 4.1 Synthe
- Page 261 and 262: Experimental for chapter 4.1 307 R
- Page 263 and 264: Experimental for chapter 4.2 (1S*,2
- 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: 284
- 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 and 334: H21A C21 H21C 109.5 . . ? H21B C21
Absolute structure parameter 1.3(11)<br />
Largest diff. peak and hole 0.175 and -0.143 e.A^-3<br />
286
Change language