Crystallography Open Database

Information card for entry 2108561

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Structure parameters

Formula	C33 H31 N3 O4
Calculated formula	C33 H31 N3 O4
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	11.765 ± 0.003 Å
b	11.892 ± 0.003 Å
c	12.314 ± 0.003 Å
α	95.213 ± 0.007°
β	111.706 ± 0.006°
γ	114.134 ± 0.006°
Cell volume	1400 ± 0.6 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	0.1343
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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