A Route to Carbasugar Analogues - Jonathan Clayden - The ...

A Route to Carbasugar Analogues - Jonathan Clayden - The ... A Route to Carbasugar Analogues - Jonathan Clayden - The ...

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04.11.2014 Views

C17 C18 C19 C20 -0.8(3) . . . . ? C18 C19 C20 C15 1.0(3) . . . . ? C16 C15 C20 C19 -0.5(3) . . . . ? C2 C15 C20 C19 176.55(17) . . . . ? O1 C3 C21 C22 151.21(16) . . . . ? C2 C3 C21 C22 -93.0(2) . . . . ? O1 C3 C21 C26 -33.8(2) . . . . ? C2 C3 C21 C26 82.0(2) . . . . ? C26 C21 C22 C23 -1.5(3) . . . . ? C3 C21 C22 C23 173.60(18) . . . . ? C21 C22 C23 C24 1.0(3) . . . . ? C22 C23 C24 C25 0.3(3) . . . . ? C23 C24 C25 C26 -1.1(3) . . . . ? C24 C25 C26 C21 0.5(3) . . . . ? C22 C21 C26 C25 0.8(3) . . . . ? C3 C21 C26 C25 -174.24(17) . . . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.245 _refine_diff_density_min -0.155 _refine_diff_density_rms 0.035 305

c. Compound 213 Ph O N Ph Me OH 213 OH Identification code s2494m Empirical formula C25 H29 N O3 Formula weight 391.49 Temperature 100(2) K Wavelength 0.71073 A Crystal system, space group Triclinic, P1 Unit cell dimensions a = 7.8190(18) A alpha = 88.315(4) deg. b = 10.875(3) A beta = 83.873(5) deg. c = 12.833(3) A gamma = 85.179(4) deg. Volume 1080.9(4) A^3 Z, Calculated density 2, 1.203 Mg/m^3 Absorption coefficient 0.078 mm^-1 F(000) 420 Crystal size 0.40 x 0.20 x 0.06 mm Theta range for data collection 1.60 to 28.26 deg. Limiting indices -9

C17 C18 C19 C20 -0.8(3) . . . . ?<br />

C18 C19 C20 C15 1.0(3) . . . . ?<br />

C16 C15 C20 C19 -0.5(3) . . . . ?<br />

C2 C15 C20 C19 176.55(17) . . . . ?<br />

O1 C3 C21 C22 151.21(16) . . . . ?<br />

C2 C3 C21 C22 -93.0(2) . . . . ?<br />

O1 C3 C21 C26 -33.8(2) . . . . ?<br />

C2 C3 C21 C26 82.0(2) . . . . ?<br />

C26 C21 C22 C23 -1.5(3) . . . . ?<br />

C3 C21 C22 C23 173.60(18) . . . . ?<br />

C21 C22 C23 C24 1.0(3) . . . . ?<br />

C22 C23 C24 C25 0.3(3) . . . . ?<br />

C23 C24 C25 C26 -1.1(3) . . . . ?<br />

C24 C25 C26 C21 0.5(3) . . . . ?<br />

C22 C21 C26 C25 0.8(3) . . . . ?<br />

C3 C21 C26 C25 -174.24(17) . . . . ?<br />

_diffrn_measured_fraction_theta_max 0.991<br />

_diffrn_reflns_theta_full 26.37<br />

_diffrn_measured_fraction_theta_full 0.991<br />

_refine_diff_density_max 0.245<br />

_refine_diff_density_min -0.155<br />

_refine_diff_density_rms 0.035<br />

305

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