Crystal Structures of Two Macrocyclic Bischalcones Possessing 26-Membered Rings

Table 1

Crystallographic and experimental data for 1 and 2.

Compounds	1	2
Empirical formula	C38H36O6	C38H36O6
Color/shape	Light yellow	Light yellow
Formula weight	588.67	588.67
Crystal system	Monoclinic	Triclinic
Space group	C2/	P-1
Unit cell dimensions	Å,	Å,
	Å,	Å,
	Å,	Å,
Volume	6384.6(3) Å^3	1572.03(125) Å^3
	8	4
Density (calculated)	1.225 g cm^−3	1.24 g cm^−3
Absorption coefficient	0.082 mm^−1	0.083 mm^−1
(000)	2496	624
Crystal size	0.12 × 0.09 × 0.11 mm^3	0.12 × 0.09 × 0.11 mm^3
Theta range for data collection	1.2–27.6	2.2–27.7
Limiting indices	−44 ≤:
Reflections collected	50677	20993
Independent reflections	7,334[(int) = 0.038]	5673[(int) = 0.093]
Reflections observed (∖)	3677	1534
Refinement method	Full-matrix least-squares on	Full-matrix least-squares on
Data/restraints/parameters	7,334/1/413	5673/1/413
Goodness-of-fit on	1.00	0.567
Final indices	,	, = 0.155
indices (all data)	,	,
Weighting scheme	/[()  + 0.0537P)^2 + 0.8426P]	/[() + 0.2000P)^2  +  0.0000P]
Largest diff. peak and hole	0.13 and −0.17Å^−3	0.17 and −0.15Å^−3

; ^b.