. 2022 Mar 16;144(12):5304–5314. doi: 10.1021/jacs.1c10563

Table 2. Summary of Structural Parameters of Cholestanol·2H₂O (in Å, Degrees, and Number of Molecules per Asymmetric Unit, n) as Compared to Monoclinic Cholesterol·H₂O.

	a	b	c	α	β	γ	space group	n
triclinic cell^34,35	9.79	7.76	36.8	83.0	106.0	88.5	P1	4
triclinic, transformed to pseudo A2¹³	9.8	7.8	73.8	89.1	106.1	88.5	pseudo A2	2
DFT-optimized A2	9.52	7.44	75.14	90.0	95.3	90.0	A2	2
monoclinic cholesterol·H₂O¹³	10.15	7.57	68.20	90.0	94.8	90.0	A2	2

Table 2. Summary of Structural Parameters of Cholestanol·2H2O (in Å, Degrees, and Number of Molecules per Asymmetric Unit, n) as Compared to Monoclinic Cholesterol·H2O.