Crystal Structure of 4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate

Id2021108
Chemical name4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate
a (Å)8.8070(6)
b (Å)14.9505(8)
c (Å)16.6376(10)
α (°)90
β (°)95.903(4)
γ (°)90
V (Å3)2179.0(2)
Space groupP 1 21 1
Temperature (K)90.0(5)
Rint0.0366
Publication: Acta Crystallographica Section C (2018) 74, 5 542-547