Crystal Structure of Poly[(acetone-O)-3-((3,4-dimethoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-(2-oxo-2H-chromen-4-olate)sodium]

Table 1

Crystal data and structure refinement for Compound 1.

Identification code	Compound 1
Empirical formula	C30H25NaO10
Formula weight	552.49
Temperature	293(2) K
Wavelength	.71069 A
Crystal system, space group	Orthorhombic, P 21 21 21
Unit cell dimensions	𝑎=9.967(2) Å, 𝛼 = 90°
	𝑏=11.473(3) Å, 𝛽 = 90°
	𝑐=22.176(5) Å, 𝛾 = 90°
Volume	2535.9(10) Å^3
𝑍, Calculated density	4, 1.452 g/cm^3
Absorption coefficient	0.124 mm^−1
𝐹(000)	1152
Crystal size	0.50×0.14×0.08 mm^3
𝜃 range for data collection	2.00 to 22.11°
Limiting indices	−10≤ℎ≤10,  −12≤𝑘≤12,
	−23≤𝑙≤23
Reflections collected/unique	14591/1822 [𝑅(int)=0.0407]
Completeness to 𝜃 = 22.11	99.6%
Absorption correction	Semi-empirical from equivalents
Max. and min. transmission	0.99 and 0.86
Refinement method	Full-matrix least-squares on 𝐹^2
Data/restraints/parameters	1822/23/365
Goodness-of-fit on 𝐹^2	1.146
Final 𝑅 indices [𝐼>2𝜎(𝐼)]	𝑅1 = 0.0585, 𝑤𝑅2 = 0.1449/
𝑅 indices (all data)	𝑅1 = 0.0774, 𝑤𝑅2 = 0.1556
Extinction coefficient	0.008(2)
Largest diff. peak and hole	0.256 and −0.385 e.Å^-3
CCDC	723527