Crystallography Open Database

Information card for entry 2108560

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Structure parameters

Formula	C67 H60 N6 O7
Calculated formula	C67 H60 N6 O7
Title of publication	Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
Authors of publication	Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
Journal of publication	Acta Crystallographica Section B
Year of publication	2019
Journal volume	75
Journal issue	6
a	12.215 ± 0.003 Å
b	15.89 ± 0.004 Å
c	17.769 ± 0.005 Å
α	114.901 ± 0.006°
β	92.443 ± 0.007°
γ	111.284 ± 0.006°
Cell volume	2835.9 ± 1.3 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1294
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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