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

Id2021107
Chemical name4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate
a (Å)9.7361(4)
b (Å)13.7118(5)
c (Å)16.1437(7)
α (°)90
β (°)92.249(3)
γ (°)90
V (Å3)2153.52(15)
Space groupP 1 21/n 1
Temperature (K)90.0(5)
Rint0.0447
Publication: Acta Crystallographica Section C (2018) 74, 5 542-547