Table 1.

Crystallographic data for cholesterol taken from experiment (43), atomistic simulation, and coarse-grained simulation at 298 K

	Experimental∗	Atomistic		Full CG model		Homogenous CG model
Density (g/cm3)	1.021	1.018	± 0.006	1.007	± 0.028	1.030	± 0.024
a (Å)	14.172	14.149	± 0.062	14.133	± 0.226	13.949	± 0.212
b (Å)	34.209	33.614	± 0.250	34.315	± 0.763	33.823	± 0.598
c (Å)	10.481	10.743	± 0.088	10.748	± 0.077	10.749	± 0.086
α	94.64°	94.50°	± 0.58	94.40°	± 1.65	97.51°	± 3.72
β	90.67°	90.32°	± 0.49	89.82°	± 0.83	89.99°	± 0.99
γ	96.32°	97.61°	± 0.84	99.24°	± 5.60	94.93°	± 3.29

^∗Data from Hsu et al. (9).