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Table 1 Crystal data and details of the structure solution and refinement

From: Synthesis and crystal structure of 1,4,10,13-tetraoxa-7,16-diazoniumcyclo-octadecane bis(4-chloro-2-methyl-phenoxyacetate)

Emirical formula C15H22ClNO5
Formula weight 331.79
Temperature 210(2) K
Wavelength 0.71073 Å
Crystal system, space group Triclinic, P
Unit cell dimensions a = 7.5342(6) Å α = 97.624(7)°
b = 9.1935(8) Å β = 93.340(6)°
c = 12.8532(10) Å γ = 108.945(6)°
Volume 829.73(12) Å3
Z, Calculated density 2, 1.328 g/cm-3
Absorption coefficient 0.252 mm-1
F(000) 352
Crystal size 1.5 × 0.6 × 0.15 mm
Θ range for data collection 1.61 to 25.0°
Reflections collected/unique 5361/2738
Refinement method Full-matrix least-squares on F2
Data/restraints/parameters 2738/0/288
Goodness-of-fit on F2 1.001
R indices [I > 2σ(I); 2280] R1 = 0.0423, wR2 = 0.1110
R indices (all data) R1 = 0.0495, wR2 = 0.1147
Largest diff. Peak and hole 0.413 and -0.319 eÅ-3